8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

C19H18N2O2 — CID 3217706

IUPAC8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c12
InChIInChI=1S/C19H18N2O2/c1-13-6-5-9-15-17(13)21-12-16(18(15)22)19(23)20-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyXZIPZOJQSBKXJN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds4

About 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide

8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 3217706) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID3217706
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCc1cccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c12
InChIInChI=1S/C19H18N2O2/c1-13-6-5-9-15-17(13)21-12-16(18(15)22)19(23)20-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyXZIPZOJQSBKXJN-UHFFFAOYSA-N
XLogP2.81
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide (CID 3217706) is 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is Cc1cccc2c(=O)c(C(=O)NCCc3ccccc3)c[nH]c12.
What is the InChIKey of 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is XZIPZOJQSBKXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-5-9-15-17(13)21-12-16(18(15)22)19(23)20-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide?
8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3217706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).