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

C26H23N3O4 — CID 6502365

IUPACN-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23N3O4/c1-18(30)20-10-7-11-21(16-20)27-24(31)17-29-23-13-6-5-12-22(23)25(32)28(26(29)33)15-14-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3,(H,27,31)
InChIKeyBWULBNJIJMLWBM-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.25
Rot. Bonds7

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

N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide (PubChem CID 6502365) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
PubChem CID6502365
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1
InChIInChI=1S/C26H23N3O4/c1-18(30)20-10-7-11-21(16-20)27-24(31)17-29-23-13-6-5-12-22(23)25(32)28(26(29)33)15-14-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3,(H,27,31)
InChIKeyBWULBNJIJMLWBM-UHFFFAOYSA-N
XLogP3.25
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethylphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15992650
5-[1-[2-(3-acetylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-cyclopentylpentanamide
CID 50763024
N-(3-chlorophenyl)-2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]quinazolin-1-yl]acetamide
CID 22430065
N-(3-bromophenyl)-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 26465653
5-[1-(2-anilino-2-oxoethyl)-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50763061
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768
N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925575
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
3-[1-[2-(4-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 15989633
5-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-phenylpentanamide
CID 50762808
2-(2,4-dioxo-3-pentylquinazolin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 46860946
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-methylbutyl)acetamide
CID 51046610

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide (CID 6502365) is N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
The InChIKey is BWULBNJIJMLWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-18(30)20-10-7-11-21(16-20)27-24(31)17-29-23-13-6-5-12-22(23)25(32)28(26(29)33)15-14-19-8-3-2-4-9-19/h2-13,16H,14-15,17H2,1H3,(H,27,31).
What are the key properties of N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 6502365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).