7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one

C17H12Cl2N2O — CID 135847238

IUPAC7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCc1cccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H12Cl2N2O/c1-10-3-2-4-11(7-10)8-14(19)16-20-15-9-12(18)5-6-13(15)17(22)21-16/h2-9H,1H3,(H,20,21,22)/b14-8-
InChIKeyZEUFUBWDEOQZNN-ZSOIEALJSA-N
MW331.20 g/mol
LogP4.62
Rot. Bonds2

About 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one

7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135847238) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135847238
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCc1cccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C17H12Cl2N2O/c1-10-3-2-4-11(7-10)8-14(19)16-20-15-9-12(18)5-6-13(15)17(22)21-16/h2-9H,1H3,(H,20,21,22)/b14-8-
InChIKeyZEUFUBWDEOQZNN-ZSOIEALJSA-N
XLogP4.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one (CID 135847238) is 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one is Cc1cccc(/C=C(\Cl)c2nc3cc(Cl)ccc3c(=O)[nH]2)c1.
What is the InChIKey of 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is ZEUFUBWDEOQZNN-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c1-10-3-2-4-11(7-10)8-14(19)16-20-15-9-12(18)5-6-13(15)17(22)21-16/h2-9H,1H3,(H,20,21,22)/b14-8-.
What are the key properties of 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one?
7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 331.20 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).