4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide

C19H18N2O4 — CID 54676949

IUPAC4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-21-15-6-4-3-5-14(15)17(22)16(19(21)24)18(23)20-11-12-7-9-13(25-2)10-8-12/h3-10,22H,11H2,1-2H3,(H,20,23)
InChIKeyZRXTWLGHPGVGQL-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.18
Rot. Bonds4

About 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54676949) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54676949
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1
InChIInChI=1S/C19H18N2O4/c1-21-15-6-4-3-5-14(15)17(22)16(19(21)24)18(23)20-11-12-7-9-13(25-2)10-8-12/h3-10,22H,11H2,1-2H3,(H,20,23)
InChIKeyZRXTWLGHPGVGQL-UHFFFAOYSA-N
XLogP2.18
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide (CID 54676949) is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide is COc1ccc(CNC(=O)c2c(O)c3ccccc3n(C)c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is ZRXTWLGHPGVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-15-6-4-3-5-14(15)17(22)16(19(21)24)18(23)20-11-12-7-9-13(25-2)10-8-12/h3-10,22H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).