2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide

C23H25N3O — CID 55984779

IUPAC2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccccc3N3CCCC3)cc2c1
InChIInChI=1S/C23H25N3O/c1-16-9-10-21-19(13-16)14-20(17(2)25-21)23(27)24-15-18-7-3-4-8-22(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,24,27)
InChIKeyUVUWCPGUNXJPEF-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.38
Rot. Bonds4

About 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide

2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide (PubChem CID 55984779) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
PubChem CID55984779
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCc3ccccc3N3CCCC3)cc2c1
InChIInChI=1S/C23H25N3O/c1-16-9-10-21-19(13-16)14-20(17(2)25-21)23(27)24-15-18-7-3-4-8-22(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,24,27)
InChIKeyUVUWCPGUNXJPEF-UHFFFAOYSA-N
XLogP4.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-3-carboxamide
CID 51283562
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 171676342
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 46996640
2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
CID 39176079
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2,6-dimethylquinoline-3-carboxamide
CID 111429581
2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-[(2-fluorophenyl)methyl]-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110851218
2-(1-methoxyethyl)-4-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 75448495
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
2,6-dimethyl-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]quinoline-3-carboxamide
CID 55867665
3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-4-oxo-2-pyrrolidin-1-ylquinazoline-7-carboxamide
CID 50761136

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide (CID 55984779) is 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCc3ccccc3N3CCCC3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide?
The InChIKey is UVUWCPGUNXJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-9-10-21-19(13-16)14-20(17(2)25-21)23(27)24-15-18-7-3-4-8-22(18)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide?
2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide is sourced from PubChem (CID 55984779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).