1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide

C19H12ClN5O — CID 135354581

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1ccnc2c1c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H12ClN5O/c20-14-6-13-5-11(1-2-16(13)24-8-14)9-25-10-15(18(22)26)17-12(7-21)3-4-23-19(17)25/h1-6,8,10H,9H2,(H2,22,26)
InChIKeyHKNAHNXCEXYDLM-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.26
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 135354581) has the molecular formula C19H12ClN5O and a molecular weight of 361.79 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID135354581
Molecular FormulaC19H12ClN5O
Molecular Weight361.79 g/mol
Exact Mass361.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide
SMILESN#Cc1ccnc2c1c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H12ClN5O/c20-14-6-13-5-11(1-2-16(13)24-8-14)9-25-10-15(18(22)26)17-12(7-21)3-4-23-19(17)25/h1-6,8,10H,9H2,(H2,22,26)
InChIKeyHKNAHNXCEXYDLM-UHFFFAOYSA-N
XLogP3.26
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide 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]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide (CID 135354581) is 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide is N#Cc1ccnc2c1c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is HKNAHNXCEXYDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5O/c20-14-6-13-5-11(1-2-16(13)24-8-14)9-25-10-15(18(22)26)17-12(7-21)3-4-23-19(17)25/h1-6,8,10H,9H2,(H2,22,26).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 361.79 g/mol, XLogP of 3.26, 3 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]-4-cyanopyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 135354581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).