2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one

C23H19ClN2O2 — CID 155671994

IUPAC2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1ccccc1C(C)n1c(-c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN2O2/c1-15(16-9-5-8-14-21(16)28-2)26-22(17-10-3-6-12-19(17)24)25-20-13-7-4-11-18(20)23(26)27/h3-15H,1-2H3
InChIKeyYNUUZLVZBXVHAA-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.33
Rot. Bonds4

About 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one

2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one (PubChem CID 155671994) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
PubChem CID155671994
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one
SMILESCOc1ccccc1C(C)n1c(-c2ccccc2Cl)nc2ccccc2c1=O
InChIInChI=1S/C23H19ClN2O2/c1-15(16-9-5-8-14-21(16)28-2)26-22(17-10-3-6-12-19(17)24)25-20-13-7-4-11-18(20)23(26)27/h3-15H,1-2H3
InChIKeyYNUUZLVZBXVHAA-UHFFFAOYSA-N
XLogP5.33
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
2-(2-chlorophenyl)-1-[1-(2-chlorophenyl)ethyl]-4,5-diphenylimidazole
CID 142084638
2-(2-chlorophenyl)-3-(2-hydroxyphenyl)quinazolin-4-one
CID 716325
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
2-(2-methoxyphenyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 17285086
3-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126296695
2-(2,4-dichlorophenyl)-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2299298
2-[(1S)-1-(2-chlorophenoxy)ethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 51570410
4-(2-chlorophenyl)-2-(5-methoxy-6-methyl-2-pyridinyl)quinazoline
CID 67702005
2-[(Z)-2-(2-chlorophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 7334797
3-[(4-bromophenyl)methylamino]-2-(2-methoxyphenyl)quinazolin-4-one
CID 24987957
3-[[2-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126288888

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one (CID 155671994) is 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one is COc1ccccc1C(C)n1c(-c2ccccc2Cl)nc2ccccc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one?
The InChIKey is YNUUZLVZBXVHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15(16-9-5-8-14-21(16)28-2)26-22(17-10-3-6-12-19(17)24)25-20-13-7-4-11-18(20)23(26)27/h3-15H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one?
2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one has a molecular weight of 390.87 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-[1-(2-methoxyphenyl)ethyl]quinazolin-4-one is sourced from PubChem (CID 155671994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).