1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione

C21H13Cl3N2O2 — CID 17159909

IUPAC1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c22-16-7-3-1-5-13(16)12-25-19-8-4-2-6-15(19)20(27)26(21(25)28)14-9-10-17(23)18(24)11-14/h1-11H,12H2
InChIKeyXSEOIVVEZRTXTH-UHFFFAOYSA-N
MW431.71 g/mol
LogP5.16
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione

1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione (PubChem CID 17159909) has the molecular formula C21H13Cl3N2O2 and a molecular weight of 431.71 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
PubChem CID17159909
Molecular FormulaC21H13Cl3N2O2
Molecular Weight431.71 g/mol
Exact Mass430.00
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H13Cl3N2O2/c22-16-7-3-1-5-13(16)12-25-19-8-4-2-6-15(19)20(27)26(21(25)28)14-9-10-17(23)18(24)11-14/h1-11H,12H2
InChIKeyXSEOIVVEZRTXTH-UHFFFAOYSA-N
XLogP5.16
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.71
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-Dichlorophenyl)-6-fluoro-1-methylquinazoline-2,4-dione
CID 139596634
Cloperidone
CID 10675
Mls002702065
CID 300570
3-(3-chlorophenyl)quinazoline-2,4(1H,3H)-dione
CID 659914
Cloperidone Hydrochloride
CID 10674
2-(2,4-Dichlorophenyl)-3-(phenylmethyl)-1,2-dihydroquinazolin-4-one
CID 2888779
1-(2-Chloro-benzyl)-3-methyl-1H-quinazoline-2,4-dione
CID 944822
4-[7-chloro-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-N-[2-(1-cyclohexenyl)ethyl]butanamide
CID 9550820
N-[(2-Chlorophenyl)methyl]-5-{1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL}pentanamide
CID 15989347
N-[(2-Chlorophenyl)methyl]-3-(1-{[(4-methylphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL)propanamide
CID 15989419
N-[(2-Chlorophenyl)methyl]-4-{1-[(3-methylphenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-YL}butanamide
CID 15989601
3-(2-(1-benzylpiperidin-4-yl)ethyl)-7-chloroquinazoline-2,4(1H,3H)-dione
CID 10023740

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione (CID 17159909) is 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione?
The InChIKey is XSEOIVVEZRTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O2/c22-16-7-3-1-5-13(16)12-25-19-8-4-2-6-15(19)20(27)26(21(25)28)14-9-10-17(23)18(24)11-14/h1-11H,12H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione?
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione has a molecular weight of 431.71 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione is sourced from PubChem (CID 17159909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).