3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione

C24H19ClN2O4 — CID 66502699

IUPAC3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc3c(c2)OCCCO3)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O4/c25-17-7-9-18(10-8-17)27-23(28)19-4-1-2-5-20(19)26(24(27)29)15-16-6-11-21-22(14-16)31-13-3-12-30-21/h1-2,4-11,14H,3,12-13,15H2
InChIKeyFLLOOLSZWKDZOA-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.02
Rot. Bonds3

About 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione

3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione (PubChem CID 66502699) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
PubChem CID66502699
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc3c(c2)OCCCO3)c(=O)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O4/c25-17-7-9-18(10-8-17)27-23(28)19-4-1-2-5-20(19)26(24(27)29)15-16-6-11-21-22(14-16)31-13-3-12-30-21/h1-2,4-11,14H,3,12-13,15H2
InChIKeyFLLOOLSZWKDZOA-UHFFFAOYSA-N
XLogP4.02
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione 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

6-bromo-3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione
CID 66502730
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 1241199
3-(4-chlorophenyl)-1-prop-2-enylquinazoline-2,4-dione
CID 17337182
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-ethylphenyl)quinazoline-2,4-dione
CID 53100932
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
CID 15989209
2-[4-[1-[(3-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
CID 50762522
3-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 66502624
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
CID 17159909

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione (CID 66502699) is 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccc3c(c2)OCCCO3)c(=O)n1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione?
The InChIKey is FLLOOLSZWKDZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c25-17-7-9-18(10-8-17)27-23(28)19-4-1-2-5-20(19)26(24(27)29)15-16-6-11-21-22(14-16)31-13-3-12-30-21/h1-2,4-11,14H,3,12-13,15H2.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione?
3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione has a molecular weight of 434.88 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)quinazoline-2,4-dione is sourced from PubChem (CID 66502699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).