6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid

C23H16BrN3O3 — CID 130405438

IUPAC6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C23H16BrN3O3/c1-13-20(22(28)27-19-10-7-15(12-25-19)23(29)30)17-11-16(24)8-9-18(17)26-21(13)14-5-3-2-4-6-14/h2-12H,1H3,(H,29,30)(H,25,27,28)
InChIKeyHOKSRPWPWCUMPX-UHFFFAOYSA-N
MW462.30 g/mol
LogP5.32
Rot. Bonds4

About 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid

6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 130405438) has the molecular formula C23H16BrN3O3 and a molecular weight of 462.30 g/mol. Its IUPAC name is 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID130405438
Molecular FormulaC23H16BrN3O3
Molecular Weight462.30 g/mol
Exact Mass461.04
IUPAC Name6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C23H16BrN3O3/c1-13-20(22(28)27-19-10-7-15(12-25-19)23(29)30)17-11-16(24)8-9-18(17)26-21(13)14-5-3-2-4-6-14/h2-12H,1H3,(H,29,30)(H,25,27,28)
InChIKeyHOKSRPWPWCUMPX-UHFFFAOYSA-N
XLogP5.32
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.30
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid (CID 130405438) is 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid is Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is HOKSRPWPWCUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O3/c1-13-20(22(28)27-19-10-7-15(12-25-19)23(29)30)17-11-16(24)8-9-18(17)26-21(13)14-5-3-2-4-6-14/h2-12H,1H3,(H,29,30)(H,25,27,28).
What are the key properties of 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 462.30 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-bromo-3-methyl-2-phenylquinoline-4-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 130405438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).