4-(azepane-1-carbonyl)-2-(5-methylthiophen-2-yl)quinoline

4-(azepane-1-carbonyl)-2-(5-methylthiophen-2-yl)quinoline

Formula: C21H22N2OS

SMILES: CC1=CC=C(S1)C1=NC2=CC=CC=C2C(=C1)C(=O)N1CCCCCC1

IUPAC: 4-(azepane-1-carbonyl)-2-(5-methylthiophen-2-yl)quinoline

InChI: InChI=1S/C21H22N2OS/c1-15-10-11-20(25-15)19-14-17(16-8-4-5-9-18(16)22-19)21(24)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3

Composition: C (71.97%), H (6.33%), N (7.99%), O (4.56%), S (9.15%)

Molar Mass: 350.48

Atom Count: 47

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	350.14528451
Formal Charge	0
FSP3	0.33
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QDRACTSPBWRZHW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.3
Topological Polar Surface Area	33.2
Polarizability	41.53
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00