6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one

C16H10Cl2N2O — CID 135817921

IUPAC6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-7-14-12(9-11)16(21)20-15(19-14)13(18)8-10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b13-8-
InChIKeyKBHPWGQDPCECEN-JYRVWZFOSA-N
MW317.18 g/mol
LogP4.31
Rot. Bonds2

About 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one

6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one (PubChem CID 135817921) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
PubChem CID135817921
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H10Cl2N2O/c17-11-6-7-14-12(9-11)16(21)20-15(19-14)13(18)8-10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b13-8-
InChIKeyKBHPWGQDPCECEN-JYRVWZFOSA-N
XLogP4.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
7-chloro-2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135809695
methyl 4-[(Z)-2-chloro-2-(6-chloro-4-oxo-3H-quinazolin-2-yl)ethenyl]benzoate
CID 135811902
6-chloro-2-[(Z)-1-chloro-2-[4-(diethylamino)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135817927
2-[(Z)-1-chloro-2-[3-[(Z)-2-chloro-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl]ethenyl]-3H-quinazolin-4-one
CID 135868153
6-chloro-2-[(Z)-1-chloro-2-(3,4-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811879
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
6-chloro-2-[(Z)-1-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-3H-quinazolin-4-one
CID 137289153
6-chloro-2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135811958
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135847238
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750
7-chloro-2-[(Z)-1-chloro-2-(3,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847774

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one (CID 135817921) is 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C(Cl)=C/c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one?
The InChIKey is KBHPWGQDPCECEN-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-11-6-7-14-12(9-11)16(21)20-15(19-14)13(18)8-10-4-2-1-3-5-10/h1-9H,(H,19,20,21)/b13-8-.
What are the key properties of 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one?
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one has a molecular weight of 317.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135817921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).