N-(1-phenylethyl)quinoline-2-carboxamide

C18H16N2O — CID 3564970

IUPACN-(1-phenylethyl)quinoline-2-carboxamide
SMILESCC(NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)19-18(21)17-12-11-15-9-5-6-10-16(15)20-17/h2-13H,1H3,(H,19,21)
InChIKeyAQZSJJAVFVNFAH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.73
Rot. Bonds3

About N-(1-phenylethyl)quinoline-2-carboxamide

N-(1-phenylethyl)quinoline-2-carboxamide (PubChem CID 3564970) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-phenylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)quinoline-2-carboxamide
PubChem CID3564970
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-(1-phenylethyl)quinoline-2-carboxamide
SMILESCC(NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)19-18(21)17-12-11-15-9-5-6-10-16(15)20-17/h2-13H,1H3,(H,19,21)
InChIKeyAQZSJJAVFVNFAH-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)quinoline-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)quinoline-2-carboxamide (CID 3564970) is N-(1-phenylethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)quinoline-2-carboxamide is CC(NC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)quinoline-2-carboxamide?
The InChIKey is AQZSJJAVFVNFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13(14-7-3-2-4-8-14)19-18(21)17-12-11-15-9-5-6-10-16(15)20-17/h2-13H,1H3,(H,19,21).
What are the key properties of N-(1-phenylethyl)quinoline-2-carboxamide?
N-(1-phenylethyl)quinoline-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 3564970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).