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

C22H16Cl2N2O2 — CID 1241199

IUPAC1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-17-9-5-15(6-10-17)13-25-20-4-2-1-3-19(20)21(27)26(22(25)28)14-16-7-11-18(24)12-8-16/h1-12H,13-14H2
InChIKeyFXDCWNHGMSHGDN-UHFFFAOYSA-N
MW411.29 g/mol
LogP4.57
Rot. Bonds4

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

1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione (PubChem CID 1241199) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
PubChem CID1241199
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione
SMILESO=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H16Cl2N2O2/c23-17-9-5-15(6-10-17)13-25-20-4-2-1-3-19(20)21(27)26(22(25)28)14-16-7-11-18(24)12-8-16/h1-12H,13-14H2
InChIKeyFXDCWNHGMSHGDN-UHFFFAOYSA-N
XLogP4.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 22429968
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(2-fluorophenyl)acetamide
CID 46925448
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
N-(4-chlorophenyl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030617
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
CID 53370489
2-[4-[[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 175872732
4-[[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 22429777
1-[(4-chlorophenyl)methyl]-3,1-benzoxazine-2,4-dione
CID 771877
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
2-[4-[1-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763349
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione (CID 1241199) is 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione is O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
The InChIKey is FXDCWNHGMSHGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c23-17-9-5-15(6-10-17)13-25-20-4-2-1-3-19(20)21(27)26(22(25)28)14-16-7-11-18(24)12-8-16/h1-12H,13-14H2.
What are the key properties of 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione?
1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione has a molecular weight of 411.29 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(4-chlorophenyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 1241199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).