5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one

C17H15ClN2O2 — CID 129190696

IUPAC5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C17H15ClN2O2/c1-3-15-19-12-8-6-7-11(18)16(12)17(21)20(15)13-9-4-5-10-14(13)22-2/h4-10H,3H2,1-2H3
InChIKeyLANUWTBOXLFKOJ-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one

5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one (PubChem CID 129190696) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
PubChem CID129190696
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C17H15ClN2O2/c1-3-15-19-12-8-6-7-11(18)16(12)17(21)20(15)13-9-4-5-10-14(13)22-2/h4-10H,3H2,1-2H3
InChIKeyLANUWTBOXLFKOJ-UHFFFAOYSA-N
XLogP3.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one (CID 129190696) is 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
The InChIKey is LANUWTBOXLFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-3-15-19-12-8-6-7-11(18)16(12)17(21)20(15)13-9-4-5-10-14(13)22-2/h4-10H,3H2,1-2H3.
What are the key properties of 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one?
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one has a molecular weight of 314.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 129190696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).