1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid

C19H14ClN3O3 — CID 134178706

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H14ClN3O3/c1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyBDOLPDFTKBTRDR-UHFFFAOYSA-N
MW367.79 g/mol
LogP3.99
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid

1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 134178706) has the molecular formula C19H14ClN3O3 and a molecular weight of 367.79 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID134178706
Molecular FormulaC19H14ClN3O3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCOc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H14ClN3O3/c1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15/h2-8,10H,9H2,1H3,(H,24,25)
InChIKeyBDOLPDFTKBTRDR-UHFFFAOYSA-N
XLogP3.99
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]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]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 134178706) is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid is COc1ccc2c(n1)c(C(=O)O)cn2Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is BDOLPDFTKBTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3/c1-26-17-5-4-16-18(22-17)14(19(24)25)10-23(16)9-11-2-3-15-12(6-11)7-13(20)8-21-15/h2-8,10H,9H2,1H3,(H,24,25).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid?
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 367.79 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 134178706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).