2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide

C25H26Cl2N4O4 — CID 156589664

IUPAC2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C2CCCCC2N(CC(=O)Nc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H26Cl2N4O4/c26-17-11-10-16(20(27)12-17)13-28-22(32)14-31-24(34)19-8-4-5-9-21(19)30(25(31)35)15-23(33)29-18-6-2-1-3-7-18/h1-3,6-7,10-12,19,21H,4-5,8-9,13-15H2,(H,28,32)(H,29,33)
InChIKeyAJBXXKYBFBRSSC-UHFFFAOYSA-N
MW517.41 g/mol
LogP4.07
Rot. Bonds7

About 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide

2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide (PubChem CID 156589664) has the molecular formula C25H26Cl2N4O4 and a molecular weight of 517.41 g/mol. Its IUPAC name is 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
PubChem CID156589664
Molecular FormulaC25H26Cl2N4O4
Molecular Weight517.41 g/mol
Exact Mass516.13
IUPAC Name2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C2CCCCC2N(CC(=O)Nc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H26Cl2N4O4/c26-17-11-10-16(20(27)12-17)13-28-22(32)14-31-24(34)19-8-4-5-9-21(19)30(25(31)35)15-23(33)29-18-6-2-1-3-7-18/h1-3,6-7,10-12,19,21H,4-5,8-9,13-15H2,(H,28,32)(H,29,33)
InChIKeyAJBXXKYBFBRSSC-UHFFFAOYSA-N
XLogP4.07
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide 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

2-[2,4-dioxo-3-[2-oxo-2-(2-phenylethylamino)ethyl]-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 156589639
2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3-chlorophenyl)acetamide
CID 2708286
2-(3-benzyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 156589849
5-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-phenylpentanamide
CID 75545425
2-(2,4-dichlorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 46553550
4-[1-[2-(4-ethylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-[(2-methoxyphenyl)methyl]butanamide
CID 156591345
2-[3-(3-chlorophenyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 73370475
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-chlorophenyl)acetamide
CID 2708226
1,3-diphenacyl-4a,5,6,7,8,8a-hexahydroquinazoline-2,4-dione
CID 73265092
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2708221
5-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]-N-propylpentanamide
CID 74536338
(2R)-1-benzyl-N-[(2,4-dichlorophenyl)methyl]-6-oxopiperidine-2-carboxamide
CID 71454380

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide (CID 156589664) is 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide is O=C(CN1C(=O)C2CCCCC2N(CC(=O)Nc2ccccc2)C1=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide?
The InChIKey is AJBXXKYBFBRSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O4/c26-17-11-10-16(20(27)12-17)13-28-22(32)14-31-24(34)19-8-4-5-9-21(19)30(25(31)35)15-23(33)29-18-6-2-1-3-7-18/h1-3,6-7,10-12,19,21H,4-5,8-9,13-15H2,(H,28,32)(H,29,33).
What are the key properties of 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide?
2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide has a molecular weight of 517.41 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 156589664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).