3-[(tert-butoxycarbonyl)amino]quinoline-7-carboxylic acid

3-[(tert-butoxycarbonyl)amino]quinoline-7-carboxylic acid

Formula: C15H16N2O4

SMILES: CC(C)(C)OC(=O)NC1=CC2=CC=C(C=C2N=C1)C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}quinoline-7-carboxylic acid

InChI: InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)17-11-6-9-4-5-10(13(18)19)7-12(9)16-8-11/h4-8H,1-3H3,(H,17,20)(H,18,19)

Composition: C (62.49%), H (5.59%), N (9.72%), O (22.20%)

Molar Mass: 288.303

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	288.111007003
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JTVRIJXNFIPLFM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.53
Topological Polar Surface Area	88.52
Polarizability	30.37
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H16N2O4		Quote Only