2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one

C20H12Cl2N2O — CID 168551464

IUPAC2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)nc2ccccc12
InChIInChI=1S/C20H12Cl2N2O/c21-15-9-14(10-16(22)11-15)12-5-7-13(8-6-12)19-23-18-4-2-1-3-17(18)20(25)24-19/h1-11H,(H,23,24,25)
InChIKeyHOTZYYRESRFDRY-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.56
Rot. Bonds2

About 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one

2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168551464) has the molecular formula C20H12Cl2N2O and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
PubChem CID168551464
Molecular FormulaC20H12Cl2N2O
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)nc2ccccc12
InChIInChI=1S/C20H12Cl2N2O/c21-15-9-14(10-16(22)11-15)12-5-7-13(8-6-12)19-23-18-4-2-1-3-17(18)20(25)24-19/h1-11H,(H,23,24,25)
InChIKeyHOTZYYRESRFDRY-UHFFFAOYSA-N
XLogP5.56
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-3H-quinazolin-4-one
CID 168550718
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
2-(2-chloro-4-phenylphenyl)-3H-quinazolin-4-one
CID 168551801
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(4-tert-butylphenyl)-3H-quinazolin-4-one
CID 135443955
2-(4-oxo-3H-quinazolin-6-yl)-3H-quinazolin-4-one
CID 168553315
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-[4-(4-methylphenoxy)phenyl]-3H-quinazolin-4-one
CID 168552737
2-[3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]phenyl]acetic acid
CID 168551369
2-[5-chloro-2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168550858
2-(4-pyrimidin-4-ylphenyl)-3H-quinazolin-4-one
CID 168552833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one (CID 168551464) is 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)nc2ccccc12.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is HOTZYYRESRFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O/c21-15-9-14(10-16(22)11-15)12-5-7-13(8-6-12)19-23-18-4-2-1-3-17(18)20(25)24-19/h1-11H,(H,23,24,25).
What are the key properties of 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one?
2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 367.24 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168551464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).