2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one

C21H19NO2 — CID 170419866

IUPAC2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
SMILESCc1oc2c(=O)c3ccccc3n(C(C)C)c2c1-c1ccccc1
InChIInChI=1S/C21H19NO2/c1-13(2)22-17-12-8-7-11-16(17)20(23)21-19(22)18(14(3)24-21)15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKeyCSWJHEFIHUQPGK-UHFFFAOYSA-N
MW317.39 g/mol
LogP5.30
Rot. Bonds2

About 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one

2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one (PubChem CID 170419866) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
PubChem CID170419866
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
SMILESCc1oc2c(=O)c3ccccc3n(C(C)C)c2c1-c1ccccc1
InChIInChI=1S/C21H19NO2/c1-13(2)22-17-12-8-7-11-16(17)20(23)21-19(22)18(14(3)24-21)15-9-5-4-6-10-15/h4-13H,1-3H3
InChIKeyCSWJHEFIHUQPGK-UHFFFAOYSA-N
XLogP5.30
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.39
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one?
The IUPAC name of 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one (CID 170419866) is 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one.
What is the SMILES notation for 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one?
The canonical SMILES for 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one is Cc1oc2c(=O)c3ccccc3n(C(C)C)c2c1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one?
The InChIKey is CSWJHEFIHUQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13(2)22-17-12-8-7-11-16(17)20(23)21-19(22)18(14(3)24-21)15-9-5-4-6-10-15/h4-13H,1-3H3.
What are the key properties of 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one?
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one has a molecular weight of 317.39 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one is sourced from PubChem (CID 170419866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).