2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide

C23H31N3O — CID 70755176

IUPAC2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC3(N4CCCC4)CCCCC3)c2c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-21-19(14-17)20(15-18(2)25-21)22(27)24-16-23(10-4-3-5-11-23)26-12-6-7-13-26/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,24,27)
InChIKeyLQQKQXZFDLHRDT-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.38
Rot. Bonds4

About 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide

2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide (PubChem CID 70755176) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
PubChem CID70755176
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NCC3(N4CCCC4)CCCCC3)c2c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-21-19(14-17)20(15-18(2)25-21)22(27)24-16-23(10-4-3-5-11-23)26-12-6-7-13-26/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,24,27)
InChIKeyLQQKQXZFDLHRDT-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 ≤ 500365.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]quinoline-3-carboxamide
CID 39176079
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18161323
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
CID 34167121
2,3,4-trimethoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2449625
2,7-dimethyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 47000437
2-[4-(2,6-dimethylquinoline-4-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35614892
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 94020756
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532
2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide (CID 70755176) is 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NCC3(N4CCCC4)CCCCC3)c2c1.
What is the InChIKey of 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide?
The InChIKey is LQQKQXZFDLHRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-8-9-21-19(14-17)20(15-18(2)25-21)22(27)24-16-23(10-4-3-5-11-23)26-12-6-7-13-26/h8-9,14-15H,3-7,10-13,16H2,1-2H3,(H,24,27).
What are the key properties of 2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide has a molecular weight of 365.52 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-[(1-pyrrolidin-1-ylcyclohexyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 70755176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).