1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid

C18H12ClN3O2 — CID 134178531

IUPAC1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12
InChIInChI=1S/C18H12ClN3O2/c19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22/h1-8,10H,9H2,(H,23,24)
InChIKeyAUEMPYDCMKEEFF-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.98
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid

1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid (PubChem CID 134178531) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid
PubChem CID134178531
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12
InChIInChI=1S/C18H12ClN3O2/c19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22/h1-8,10H,9H2,(H,23,24)
InChIKeyAUEMPYDCMKEEFF-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid (CID 134178531) is 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid?
The InChIKey is AUEMPYDCMKEEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22/h1-8,10H,9H2,(H,23,24).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid?
1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid has a molecular weight of 337.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 134178531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).