N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide

C21H22N2O — CID 58387959

IUPACN-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
SMILESCC(C)Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C21H22N2O/c1-15(2)11-16-5-3-6-17(12-16)14-23-21(24)19-8-9-20-18(13-19)7-4-10-22-20/h3-10,12-13,15H,11,14H2,1-2H3,(H,23,24)
InChIKeyFUVNKJFIGKFFFX-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.36
Rot. Bonds5

About N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide

N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide (PubChem CID 58387959) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
PubChem CID58387959
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide
SMILESCC(C)Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C21H22N2O/c1-15(2)11-16-5-3-6-17(12-16)14-23-21(24)19-8-9-20-18(13-19)7-4-10-22-20/h3-10,12-13,15H,11,14H2,1-2H3,(H,23,24)
InChIKeyFUVNKJFIGKFFFX-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
N-[(3-pent-3-enoxyphenyl)methyl]quinoline-6-carboxamide
CID 68734738
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]quinoline-6-carboxamide
CID 143817195
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide?
The IUPAC name of N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide (CID 58387959) is N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide is CC(C)Cc1cccc(CNC(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide?
The InChIKey is FUVNKJFIGKFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(2)11-16-5-3-6-17(12-16)14-23-21(24)19-8-9-20-18(13-19)7-4-10-22-20/h3-10,12-13,15H,11,14H2,1-2H3,(H,23,24).
What are the key properties of N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide?
N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)phenyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 58387959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).