6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid

C17H13ClN4O4 — CID 71077330

IUPAC6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)Nc1cccnc1
InChIInChI=1S/C17H13ClN4O4/c18-11-4-9-6-13(16(24)25)15(23)22-14(9)10(5-11)7-20-17(26)21-12-2-1-3-19-8-12/h1-6,8H,7H2,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyGJKPXCTVLUZBPF-UHFFFAOYSA-N
MW372.77 g/mol
LogP2.60
Rot. Bonds4

About 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid

6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid (PubChem CID 71077330) has the molecular formula C17H13ClN4O4 and a molecular weight of 372.77 g/mol. Its IUPAC name is 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
PubChem CID71077330
Molecular FormulaC17H13ClN4O4
Molecular Weight372.77 g/mol
Exact Mass372.06
IUPAC Name6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)Nc1cccnc1
InChIInChI=1S/C17H13ClN4O4/c18-11-4-9-6-13(16(24)25)15(23)22-14(9)10(5-11)7-20-17(26)21-12-2-1-3-19-8-12/h1-6,8H,7H2,(H,22,23)(H,24,25)(H2,20,21,26)
InChIKeyGJKPXCTVLUZBPF-UHFFFAOYSA-N
XLogP2.60
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

methyl 6-chloro-2-methoxy-8-[(pyridin-3-ylcarbamoylamino)methyl]quinoline-3-carboxylate
CID 71077473
6-chloro-2-oxo-8-[(quinoline-3-carbonylamino)methyl]-1H-quinoline-3-carboxylic acid
CID 71077399
6-chloro-2-oxo-8-[[[2-(2,4,5-trifluorophenyl)acetyl]amino]methyl]-1H-quinoline-3-carboxylic acid
CID 71077641
6-chloro-8-[[[2-(4-fluoro-2-methylphenyl)acetyl]amino]methyl]-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077704
8-carbamoyl-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077296
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
2-cyano-3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 67946283
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-chlorophenyl)-3-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324407

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid (CID 71077330) is 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid is O=C(NCc1cc(Cl)cc2cc(C(=O)O)c(=O)[nH]c12)Nc1cccnc1.
What is the InChIKey of 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid?
The InChIKey is GJKPXCTVLUZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O4/c18-11-4-9-6-13(16(24)25)15(23)22-14(9)10(5-11)7-20-17(26)21-12-2-1-3-19-8-12/h1-6,8H,7H2,(H,22,23)(H,24,25)(H2,20,21,26).
What are the key properties of 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid?
6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid has a molecular weight of 372.77 g/mol, XLogP of 2.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxo-8-[(pyridin-3-ylcarbamoylamino)methyl]-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 71077330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).