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

C16H10ClFN2O — CID 135847750

IUPAC2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10ClFN2O/c17-13(9-10-5-7-11(18)8-6-10)15-19-14-4-2-1-3-12(14)16(21)20-15/h1-9H,(H,19,20,21)/b13-9-
InChIKeyUDQLFPFJCOXNSW-LCYFTJDESA-N
MW300.72 g/mol
LogP3.80
Rot. Bonds2

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

2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 135847750) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID135847750
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H10ClFN2O/c17-13(9-10-5-7-11(18)8-6-10)15-19-14-4-2-1-3-12(14)16(21)20-15/h1-9H,(H,19,20,21)/b13-9-
InChIKeyUDQLFPFJCOXNSW-LCYFTJDESA-N
XLogP3.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-[(Z)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135789519
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135847734
2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 137270114
(E)-3-(4-fluorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 135454442
2-[1-chloro-2-(4-fluorophenyl)ethenyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 135452327
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135549186
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
2-[(E)-2-(1-benzylpyrazol-4-yl)-1-chloroethenyl]-3H-quinazolin-4-one
CID 135996402
N-[(E)-(4-fluorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135691087

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one (CID 135847750) is 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one is O=c1[nH]c(/C(Cl)=C/c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is UDQLFPFJCOXNSW-LCYFTJDESA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-13(9-10-5-7-11(18)8-6-10)15-19-14-4-2-1-3-12(14)16(21)20-15/h1-9H,(H,19,20,21)/b13-9-.
What are the key properties of 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one?
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 300.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135847750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).