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

C17H15N3O4 — CID 71593748

IUPAC3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3ccccc3c(=O)n2O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-12-8-6-11(7-9-12)10-18-16(21)15-19-14-5-3-2-4-13(14)17(22)20(15)23/h2-9,23H,10H2,1H3,(H,18,21)
InChIKeyAMLFNLKETBEWQC-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.57
Rot. Bonds4

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

3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (PubChem CID 71593748) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
PubChem CID71593748
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2nc3ccccc3c(=O)n2O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-12-8-6-11(7-9-12)10-18-16(21)15-19-14-5-3-2-4-13(14)17(22)20(15)23/h2-9,23H,10H2,1H3,(H,18,21)
InChIKeyAMLFNLKETBEWQC-UHFFFAOYSA-N
XLogP1.57
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 137031826
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046968
3-(2-methoxyethyl)-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
CID 39046243
N-[(4-methoxyphenyl)methyl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 6624925
N-[(4-methoxyphenyl)methyl]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112779491
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)quinoline-4-carboxamide
CID 3269613
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8634205
2-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2544461
N-[[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzimidazol-2-yl]methyl]propanamide
CID 17028946

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide (CID 71593748) is 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is COc1ccc(CNC(=O)c2nc3ccccc3c(=O)n2O)cc1.
What is the InChIKey of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
The InChIKey is AMLFNLKETBEWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-12-8-6-11(7-9-12)10-18-16(21)15-19-14-5-3-2-4-13(14)17(22)20(15)23/h2-9,23H,10H2,1H3,(H,18,21).
What are the key properties of 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide?
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide is sourced from PubChem (CID 71593748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).