2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide

C21H22N2O — CID 7032720

IUPAC2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N2O/c1-15(12-13-17-8-4-3-5-9-17)23-21(24)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyCPDJBVPVWYTRMR-OAHLLOKOSA-N
MW318.42 g/mol
LogP4.29
Rot. Bonds5

About 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide

2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide (PubChem CID 7032720) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
PubChem CID7032720
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N2O/c1-15(12-13-17-8-4-3-5-9-17)23-21(24)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyCPDJBVPVWYTRMR-OAHLLOKOSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
N-(4-phenylbutan-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3576119
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-(1-cyanobutyl)-2-methylquinoline-4-carboxamide
CID 60549944
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
4-[(2-propan-2-ylquinoline-4-carbonyl)amino]pentanoic acid
CID 120534876
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide (CID 7032720) is 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide is Cc1cc(C(=O)N[C@H](C)CCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide?
The InChIKey is CPDJBVPVWYTRMR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(12-13-17-8-4-3-5-9-17)23-21(24)19-14-16(2)22-20-11-7-6-10-18(19)20/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide?
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 7032720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).