8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide

C16H18ClN3O — CID 56700762

IUPAC8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C16H18ClN3O/c1-20-8-7-11(10-20)9-18-16(21)14-6-5-12-3-2-4-13(17)15(12)19-14/h2-6,11H,7-10H2,1H3,(H,18,21)
InChIKeyXFFIRWMZQGMJQJ-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.57
Rot. Bonds3

About 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide

8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide (PubChem CID 56700762) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide
PubChem CID56700762
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc3cccc(Cl)c3n2)C1
InChIInChI=1S/C16H18ClN3O/c1-20-8-7-11(10-20)9-18-16(21)14-6-5-12-3-2-4-13(17)15(12)19-14/h2-6,11H,7-10H2,1H3,(H,18,21)
InChIKeyXFFIRWMZQGMJQJ-UHFFFAOYSA-N
XLogP2.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-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 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide (CID 56700762) is 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide is CN1CCC(CNC(=O)c2ccc3cccc(Cl)c3n2)C1.
What is the InChIKey of 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide?
The InChIKey is XFFIRWMZQGMJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20-8-7-11(10-20)9-18-16(21)14-6-5-12-3-2-4-13(17)15(12)19-14/h2-6,11H,7-10H2,1H3,(H,18,21).
What are the key properties of 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide?
8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 56700762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).