2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one

C35H35NO3 — CID 142859644

IUPAC2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C)c(O)c2c1.Cc1ccc2ccc(C)c(O)c2c1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C12H12O.C12H12.C11H11NO2/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-6-3-4-9-8(5-6)10(13)7(2)11(14)12-9/h3-7,13H,1-2H3;3-8H,1-2H3;3-5H,1-2H3,(H2,12,13,14)
InChIKeyOMMZGDJUGOMOLW-UHFFFAOYSA-N
MW517.67 g/mol
LogP8.47
Rot. Bonds

About 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one

2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one (PubChem CID 142859644) has the molecular formula C35H35NO3 and a molecular weight of 517.67 g/mol. Its IUPAC name is 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
PubChem CID142859644
Molecular FormulaC35H35NO3
Molecular Weight517.67 g/mol
Exact Mass517.26
IUPAC Name2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C)c(O)c2c1.Cc1ccc2ccc(C)c(O)c2c1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C12H12O.C12H12.C11H11NO2/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-6-3-4-9-8(5-6)10(13)7(2)11(14)12-9/h3-7,13H,1-2H3;3-8H,1-2H3;3-5H,1-2H3,(H2,12,13,14)
InChIKeyOMMZGDJUGOMOLW-UHFFFAOYSA-N
XLogP8.47
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.67
LogP ≤ 58.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-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 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one?
The IUPAC name of 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one (CID 142859644) is 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C)c(O)c2c1.Cc1ccc2ccc(C)c(O)c2c1.Cc1ccc2ccc(C)cc2c1.
What is the InChIKey of 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one?
The InChIKey is OMMZGDJUGOMOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O.C12H12.C11H11NO2/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8;1-9-3-5-11-6-4-10(2)8-12(11)7-9;1-6-3-4-9-8(5-6)10(13)7(2)11(14)12-9/h3-7,13H,1-2H3;3-8H,1-2H3;3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one?
2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one has a molecular weight of 517.67 g/mol, XLogP of 8.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylnaphthalene;2,7-dimethylnaphthalen-1-ol;4-hydroxy-3,6-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 142859644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).