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

C19H18N2O3 — CID 54680142

IUPAC4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-21-15-10-6-5-9-14(15)17(22)16(19(21)24)18(23)20-12-11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyYJNMRRIUBSOZGO-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.22
Rot. Bonds4

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

4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (PubChem CID 54680142) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
PubChem CID54680142
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C19H18N2O3/c1-21-15-10-6-5-9-14(15)17(22)16(19(21)24)18(23)20-12-11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyYJNMRRIUBSOZGO-UHFFFAOYSA-N
XLogP2.22
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (CID 54680142) is 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The InChIKey is YJNMRRIUBSOZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21-15-10-6-5-9-14(15)17(22)16(19(21)24)18(23)20-12-11-13-7-3-2-4-8-13/h2-10,22H,11-12H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54680142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).