N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

C23H25N3O5 — CID 3240643

IUPACN-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c(OC)c1
InChIInChI=1S/C23H25N3O5/c1-30-16-11-12-19(20(13-16)31-2)26-22(28)17-9-5-6-10-18(17)25(23(26)29)14-21(27)24-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,27)
InChIKeyHSBQLXCFWKXHKW-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.23
Rot. Bonds6

About N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide

N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 3240643) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID3240643
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c(OC)c1
InChIInChI=1S/C23H25N3O5/c1-30-16-11-12-19(20(13-16)31-2)26-22(28)17-9-5-6-10-18(17)25(23(26)29)14-21(27)24-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,27)
InChIKeyHSBQLXCFWKXHKW-UHFFFAOYSA-N
XLogP2.23
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 3240643) is N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is HSBQLXCFWKXHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-30-16-11-12-19(20(13-16)31-2)26-22(28)17-9-5-6-10-18(17)25(23(26)29)14-21(27)24-15-7-3-4-8-15/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide?
N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 3240643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).