N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

C18H17N3O3 — CID 6502382

IUPACN-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O3/c1-20-17(23)14-9-5-6-10-15(14)21(18(20)24)12-16(22)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZJOLQOAGKPATBV-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.02
Rot. Bonds4

About N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide

N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (PubChem CID 6502382) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
PubChem CID6502382
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
SMILESCn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C18H17N3O3/c1-20-17(23)14-9-5-6-10-15(14)21(18(20)24)12-16(22)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyZJOLQOAGKPATBV-UHFFFAOYSA-N
XLogP1.02
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
N-(4-fluorophenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502404
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
N-(4-methoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502403
3-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]benzamide
CID 32637431
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-butylacetamide
CID 42585859
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
5-[1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762916

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide (CID 6502382) is N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is Cn1c(=O)c2ccccc2n(CC(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
The InChIKey is ZJOLQOAGKPATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-20-17(23)14-9-5-6-10-15(14)21(18(20)24)12-16(22)19-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide?
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide is sourced from PubChem (CID 6502382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).