N-(2-phenylbutyl)quinoline-2-carboxamide

C20H20N2O — CID 46635493

IUPACN-(2-phenylbutyl)quinoline-2-carboxamide
SMILESCCC(CNC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-15(16-8-4-3-5-9-16)14-21-20(23)19-13-12-17-10-6-7-11-18(17)22-19/h3-13,15H,2,14H2,1H3,(H,21,23)
InChIKeyWXYAIHFBFYIRDZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.16
Rot. Bonds5

About N-(2-phenylbutyl)quinoline-2-carboxamide

N-(2-phenylbutyl)quinoline-2-carboxamide (PubChem CID 46635493) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-phenylbutyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)quinoline-2-carboxamide
PubChem CID46635493
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(2-phenylbutyl)quinoline-2-carboxamide
SMILESCCC(CNC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C20H20N2O/c1-2-15(16-8-4-3-5-9-16)14-21-20(23)19-13-12-17-10-6-7-11-18(17)22-19/h3-13,15H,2,14H2,1H3,(H,21,23)
InChIKeyWXYAIHFBFYIRDZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorobutyl)quinoline-2-carboxamide
CID 113492870
3-methoxy-4-(quinoline-2-carbonylamino)butanoic acid
CID 103152204
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-(4-chloro-2-methylbutyl)quinoline-2-carboxamide
CID 114306159
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-[2-phenyl-2-(1,2,4-triazol-1-yl)ethyl]quinoline-2-carboxamide
CID 155775820
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[2-(ethylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 9224319
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)quinoline-2-carboxamide?
The IUPAC name of N-(2-phenylbutyl)quinoline-2-carboxamide (CID 46635493) is N-(2-phenylbutyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-phenylbutyl)quinoline-2-carboxamide?
The canonical SMILES for N-(2-phenylbutyl)quinoline-2-carboxamide is CCC(CNC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)quinoline-2-carboxamide?
The InChIKey is WXYAIHFBFYIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-15(16-8-4-3-5-9-16)14-21-20(23)19-13-12-17-10-6-7-11-18(17)22-19/h3-13,15H,2,14H2,1H3,(H,21,23).
What are the key properties of N-(2-phenylbutyl)quinoline-2-carboxamide?
N-(2-phenylbutyl)quinoline-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylbutyl)quinoline-2-carboxamide is sourced from PubChem (CID 46635493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).