N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

C23H25ClN4O3 — CID 24544090

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C23H25ClN4O3/c24-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-25-21(29)11-14-28-19-10-4-2-8-17(19)22(30)26-23(28)31/h1-4,7-10,20H,5-6,11-15H2,(H,25,29)(H,26,30,31)
InChIKeyGERPDFCSLYRZSN-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.69
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (PubChem CID 24544090) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
PubChem CID24544090
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
SMILESO=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C23H25ClN4O3/c24-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-25-21(29)11-14-28-19-10-4-2-8-17(19)22(30)26-23(28)31/h1-4,7-10,20H,5-6,11-15H2,(H,25,29)(H,26,30,31)
InChIKeyGERPDFCSLYRZSN-UHFFFAOYSA-N
XLogP2.69
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 46446820
3-(2,4-dioxoquinazolin-1-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 26006226
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55694795
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 51926791
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 47058183
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
3-(2,4-dioxoquinazolin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551373
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512038
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide (CID 24544090) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
The InChIKey is GERPDFCSLYRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-18-9-3-1-7-16(18)20(27-12-5-6-13-27)15-25-21(29)11-14-28-19-10-4-2-8-17(19)22(30)26-23(28)31/h1-4,7-10,20H,5-6,11-15H2,(H,25,29)(H,26,30,31).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide has a molecular weight of 440.93 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide is sourced from PubChem (CID 24544090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).