N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide

C21H22N2O — CID 757603

IUPACN-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15(2)12-13-22-21(24)18-14-20(16-8-4-3-5-9-16)23-19-11-7-6-10-17(18)19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyLJHICBPZMDIYNV-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.68
Rot. Bonds5

About N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide

N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide (PubChem CID 757603) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
PubChem CID757603
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H22N2O/c1-15(2)12-13-22-21(24)18-14-20(16-8-4-3-5-9-16)23-19-11-7-6-10-17(18)19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyLJHICBPZMDIYNV-UHFFFAOYSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3-methylbutyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 35139214
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 5116892

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide (CID 757603) is N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is LJHICBPZMDIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15(2)12-13-22-21(24)18-14-20(16-8-4-3-5-9-16)23-19-11-7-6-10-17(18)19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide?
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 757603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).