4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

C19H21NO3 — CID 11243865

IUPAC4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)C(C(C)C)C(=O)N2
InChIInChI=1S/C19H21NO3/c1-11(2)17-18(12-4-6-13(21)7-5-12)15-10-14(23-3)8-9-16(15)20-19(17)22/h4-11,17-18,21H,1-3H3,(H,20,22)
InChIKeyARNYTCRRYDKFEL-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.76
Rot. Bonds3

About 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one

4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 11243865) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID11243865
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(c1ccc(O)cc1)C(C(C)C)C(=O)N2
InChIInChI=1S/C19H21NO3/c1-11(2)17-18(12-4-6-13(21)7-5-12)15-10-14(23-3)8-9-16(15)20-19(17)22/h4-11,17-18,21H,1-3H3,(H,20,22)
InChIKeyARNYTCRRYDKFEL-UHFFFAOYSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-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 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one (CID 11243865) is 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one is COc1ccc2c(c1)C(c1ccc(O)cc1)C(C(C)C)C(=O)N2.
What is the InChIKey of 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ARNYTCRRYDKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-11(2)17-18(12-4-6-13(21)7-5-12)15-10-14(23-3)8-9-16(15)20-19(17)22/h4-11,17-18,21H,1-3H3,(H,20,22).
What are the key properties of 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one?
4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-6-methoxy-3-propan-2-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 11243865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).