N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide

C25H22ClN3O3 — CID 6502350

IUPACN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C25H22ClN3O3/c26-21-12-6-4-10-19(21)16-27-23(30)17-29-22-13-7-5-11-20(22)24(31)28(25(29)32)15-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,30)
InChIKeyPQJNRVZCVGSVTI-UHFFFAOYSA-N
MW447.92 g/mol
LogP3.38
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide (PubChem CID 6502350) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
PubChem CID6502350
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
SMILESO=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccccc1Cl
InChIInChI=1S/C25H22ClN3O3/c26-21-12-6-4-10-19(21)16-27-23(30)17-29-22-13-7-5-11-20(22)24(31)28(25(29)32)15-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,30)
InChIKeyPQJNRVZCVGSVTI-UHFFFAOYSA-N
XLogP3.38
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22429523
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610
N-[(2-chlorophenyl)methyl]-5-[1-[2-(cyclohexylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 16801019
N-[(2-chlorophenyl)methyl]-3-[5-oxo-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]propanamide
CID 20880855
5-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(2-chlorophenyl)methyl]pentanamide
CID 46247690
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 15998450
N-[(2-chlorophenyl)methyl]-5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429770
N-[(2-chlorophenyl)methyl]-5-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
CID 22429771
N-[(2-chlorophenyl)methyl]-4-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]butanamide
CID 22429763

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide (CID 6502350) is N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide is O=C(Cn1c(=O)n(CCc2ccccc2)c(=O)c2ccccc21)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The InChIKey is PQJNRVZCVGSVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c26-21-12-6-4-10-19(21)16-27-23(30)17-29-22-13-7-5-11-20(22)24(31)28(25(29)32)15-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,27,30).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide has a molecular weight of 447.92 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 6502350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).