2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C17H11ClN2O2 — CID 4195083

IUPAC2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3cccc(Cl)c3)oc2c2ccccc21
InChIInChI=1S/C17H11ClN2O2/c1-20-13-8-3-2-7-12(13)15-14(17(20)21)19-16(22-15)10-5-4-6-11(18)9-10/h2-9H,1H3
InChIKeyZGAJLAVADPWZEM-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.00
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 4195083) has the molecular formula C17H11ClN2O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID4195083
Molecular FormulaC17H11ClN2O2
Molecular Weight310.74 g/mol
Exact Mass310.05
IUPAC Name2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCn1c(=O)c2nc(-c3cccc(Cl)c3)oc2c2ccccc21
InChIInChI=1S/C17H11ClN2O2/c1-20-13-8-3-2-7-12(13)15-14(17(20)21)19-16(22-15)10-5-4-6-11(18)9-10/h2-9H,1H3
InChIKeyZGAJLAVADPWZEM-UHFFFAOYSA-N
XLogP4.00
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 4195083) is 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cn1c(=O)c2nc(-c3cccc(Cl)c3)oc2c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is ZGAJLAVADPWZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O2/c1-20-13-8-3-2-7-12(13)15-14(17(20)21)19-16(22-15)10-5-4-6-11(18)9-10/h2-9H,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 310.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 4195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).