6-carbamoylquinoline-3-carboxylic acid

6-carbamoylquinoline-3-carboxylic acid

CAS: 1403746-66-6

Formula: C11H8N2O3

SMILES: NC(=O)C1=CC2=CC(=CN=C2C=C1)C(O)=O

IUPAC: 6-carbamoylquinoline-3-carboxylic acid

InChI: InChI=1S/C11H8N2O3/c12-10(14)6-1-2-9-7(3-6)4-8(5-13-9)11(15)16/h1-5H,(H2,12,14)(H,15,16)

Composition: C (61.11%), H (3.73%), N (12.96%), O (22.20%)

Molar Mass: 216.196

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	216.053492126
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CLZDNVPHNCYLNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.31
Topological Polar Surface Area	93.28
Polarizability	22.11
Ring Count	2
Rotatable Bond Count	2

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