2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide

C18H17N3O4 — CID 25158966

IUPAC2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
SMILESCOc1ccc(Cn2cnc3ccc(NC(=O)CO)cc3c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-25-14-5-2-12(3-6-14)9-21-11-19-16-7-4-13(20-17(23)10-22)8-15(16)18(21)24/h2-8,11,22H,9-10H2,1H3,(H,20,23)
InChIKeyYNULCGGNUXDWBA-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.38
Rot. Bonds5

About 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide

2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide (PubChem CID 25158966) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
PubChem CID25158966
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
SMILESCOc1ccc(Cn2cnc3ccc(NC(=O)CO)cc3c2=O)cc1
InChIInChI=1S/C18H17N3O4/c1-25-14-5-2-12(3-6-14)9-21-11-19-16-7-4-13(20-17(23)10-22)8-15(16)18(21)24/h2-8,11,22H,9-10H2,1H3,(H,20,23)
InChIKeyYNULCGGNUXDWBA-UHFFFAOYSA-N
XLogP1.38
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
[2-oxo-2-[[4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]amino]ethyl] acetate
CID 25158722
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 7587587
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoacetic acid
CID 44574768
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
CID 67360985

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide (CID 25158966) is 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide is COc1ccc(Cn2cnc3ccc(NC(=O)CO)cc3c2=O)cc1.
What is the InChIKey of 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is YNULCGGNUXDWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-14-5-2-12(3-6-14)9-21-11-19-16-7-4-13(20-17(23)10-22)8-15(16)18(21)24/h2-8,11,22H,9-10H2,1H3,(H,20,23).
What are the key properties of 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide?
2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 25158966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).