2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

C23H17ClN2O2 — CID 15991085

IUPAC2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H17ClN2O2/c1-28-19-6-4-5-18(15-19)26-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-15H,1H3/b14-11-
InChIKeyMRJAVPSFUVLGQR-KAMYIIQDSA-N
MW388.85 g/mol
LogP5.22
Rot. Bonds4

About 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one

2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 15991085) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID15991085
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H17ClN2O2/c1-28-19-6-4-5-18(15-19)26-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-15H,1H3/b14-11-
InChIKeyMRJAVPSFUVLGQR-KAMYIIQDSA-N
XLogP5.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Quinazolinone, 3-(4-methoxyphenyl)-2-phenyl-
CID 708934
3-(4-Methoxyphenyl)-2-methyl-4(3H)-quinazolinone
CID 63137
3-(2-Methoxyphenyl)-2-phenyl-4(3H)-quinazolinone
CID 722875
2-(2-chlorophenyl)-3-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 919835
3-(4-methoxyphenyl)-2-(4-methylphenyl)quinazolin-4(3H)-one
CID 1895093
7-chloro-3-hydroxy-2-(2-methoxyphenyl)-4(3H)-quinazolinone
CID 3756203
2-(4-chlorophenyl)-3-(4-(2-ethoxyphenoxy)butyl)quinazolin-4(3H)-one
CID 1598042
2-(4-chlorophenyl)-3-(4-(4-fluorophenoxy)butyl)quinazolin-4(3H)-one
CID 1639321
3-(3-methoxyphenyl)-2-[2-(3-methylphenyl)vinyl]-4(3H)-quinazolinone
CID 5912549
Quinazolin-4(3H)-one, 2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)-
CID 135419118
3-(3-Methoxyphenyl)-2-methylquinazolin-4-one
CID 657815
2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}quinazolin-4(1H)-one
CID 135412978

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one (CID 15991085) is 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2c(/C=C\c3ccc(Cl)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is MRJAVPSFUVLGQR-KAMYIIQDSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-28-19-6-4-5-18(15-19)26-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(26)27/h2-15H,1H3/b14-11-.
What are the key properties of 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one?
2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 388.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 15991085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).