6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine

C24H35ClN4O — CID 144973424

IUPAC6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
SMILESCC1CCCC(CNC(=O)c2c(Cl)ccc3nc(N4CCCC4)ccc23)C1.CNC
InChIInChI=1S/C22H28ClN3O.C2H7N/c1-15-5-4-6-16(13-15)14-24-22(27)21-17-7-10-20(26-11-2-3-12-26)25-19(17)9-8-18(21)23;1-3-2/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,27);3H,1-2H3
InChIKeyLRGLGBJNPDFFCF-UHFFFAOYSA-N
MW431.02 g/mol
LogP4.88
Rot. Bonds4

About 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine

6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine (PubChem CID 144973424) has the molecular formula C24H35ClN4O and a molecular weight of 431.02 g/mol. Its IUPAC name is 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine.

Molecular Properties

Compound Name6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
PubChem CID144973424
Molecular FormulaC24H35ClN4O
Molecular Weight431.02 g/mol
Exact Mass430.25
IUPAC Name6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine
SMILESCC1CCCC(CNC(=O)c2c(Cl)ccc3nc(N4CCCC4)ccc23)C1.CNC
InChIInChI=1S/C22H28ClN3O.C2H7N/c1-15-5-4-6-16(13-15)14-24-22(27)21-17-7-10-20(26-11-2-3-12-26)25-19(17)9-8-18(21)23;1-3-2/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,27);3H,1-2H3
InChIKeyLRGLGBJNPDFFCF-UHFFFAOYSA-N
XLogP4.88
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.02
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine 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 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine?
The IUPAC name of 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine (CID 144973424) is 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine.
What is the SMILES notation for 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine?
The canonical SMILES for 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine is CC1CCCC(CNC(=O)c2c(Cl)ccc3nc(N4CCCC4)ccc23)C1.CNC.
What is the InChIKey of 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine?
The InChIKey is LRGLGBJNPDFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O.C2H7N/c1-15-5-4-6-16(13-15)14-24-22(27)21-17-7-10-20(26-11-2-3-12-26)25-19(17)9-8-18(21)23;1-3-2/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,27);3H,1-2H3.
What are the key properties of 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine?
6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine has a molecular weight of 431.02 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methylcyclohexyl)methyl]-2-pyrrolidin-1-ylquinoline-5-carboxamide;N-methylmethanamine is sourced from PubChem (CID 144973424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).