N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide

C17H15N3O3 — CID 25155077

IUPACN-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H15N3O3/c21-10-16(22)19-13-6-7-15-14(8-13)17(23)20(11-18-15)9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,19,22)
InChIKeyAYWPACLSVIRDFY-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.38
Rot. Bonds4

About N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide

N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide (PubChem CID 25155077) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
PubChem CID25155077
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1
InChIInChI=1S/C17H15N3O3/c21-10-16(22)19-13-6-7-15-14(8-13)17(23)20(11-18-15)9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,19,22)
InChIKeyAYWPACLSVIRDFY-UHFFFAOYSA-N
XLogP1.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]acetamide
CID 25158966
N-[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxy-2-phenylacetamide
CID 67360985
2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoacetic acid
CID 44574768
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
3-[(3-benzyl-4-oxoquinazolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168560116
[2-oxo-2-[[4-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-6-yl]amino]ethyl] acetate
CID 25158722
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
[2-[[3-[(4-chloro-3-fluorophenyl)methyl]-4-oxoquinazolin-6-yl]amino]-2-oxoethyl] acetate
CID 25158963
3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218

Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide?
The IUPAC name of N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide (CID 25155077) is N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide is O=C(CO)Nc1ccc2ncn(Cc3ccccc3)c(=O)c2c1.
What is the InChIKey of N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide?
The InChIKey is AYWPACLSVIRDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-10-16(22)19-13-6-7-15-14(8-13)17(23)20(11-18-15)9-12-4-2-1-3-5-12/h1-8,11,21H,9-10H2,(H,19,22).
What are the key properties of N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide?
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide has a molecular weight of 309.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide is sourced from PubChem (CID 25155077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).