N-(2-phenylethyl)quinoline-6-carboxamide

C18H16N2O — CID 2823262

IUPACN-(2-phenylethyl)quinoline-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H16N2O/c21-18(20-12-10-14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-19-17/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeyRFIMBQQWVNWRBD-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.21
Rot. Bonds4

About N-(2-phenylethyl)quinoline-6-carboxamide

N-(2-phenylethyl)quinoline-6-carboxamide (PubChem CID 2823262) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-phenylethyl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)quinoline-6-carboxamide
PubChem CID2823262
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(2-phenylethyl)quinoline-6-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C18H16N2O/c21-18(20-12-10-14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-19-17/h1-9,11,13H,10,12H2,(H,20,21)
InChIKeyRFIMBQQWVNWRBD-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)quinoxaline-6-carboxamide
CID 858929
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-octylquinoline-6-carboxamide
CID 68863650
N-(2-phenylethyl)-2-pyridin-2-yl-1,3-benzoxazole-6-carboxamide
CID 134798841
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
CID 58388064
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)quinoline-6-carboxamide?
The IUPAC name of N-(2-phenylethyl)quinoline-6-carboxamide (CID 2823262) is N-(2-phenylethyl)quinoline-6-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)quinoline-6-carboxamide?
The canonical SMILES for N-(2-phenylethyl)quinoline-6-carboxamide is O=C(NCCc1ccccc1)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-phenylethyl)quinoline-6-carboxamide?
The InChIKey is RFIMBQQWVNWRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18(20-12-10-14-5-2-1-3-6-14)16-8-9-17-15(13-16)7-4-11-19-17/h1-9,11,13H,10,12H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)quinoline-6-carboxamide?
N-(2-phenylethyl)quinoline-6-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)quinoline-6-carboxamide is sourced from PubChem (CID 2823262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).