1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one

C20H20N2O2 — CID 10426157

IUPAC1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-3-6-19(24)16-12-21-18-10-9-14(23)11-15(18)20(16)22-17-8-5-4-7-13(17)2/h4-5,7-12,23H,3,6H2,1-2H3,(H,21,22)
InChIKeyOAEPPJBDGPGZQD-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.98
Rot. Bonds5

About 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one

1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one (PubChem CID 10426157) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
PubChem CID10426157
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one
SMILESCCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccccc1C
InChIInChI=1S/C20H20N2O2/c1-3-6-19(24)16-12-21-18-10-9-14(23)11-15(18)20(16)22-17-8-5-4-7-13(17)2/h4-5,7-12,23H,3,6H2,1-2H3,(H,21,22)
InChIKeyOAEPPJBDGPGZQD-UHFFFAOYSA-N
XLogP4.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
1-[8-(2-Hydroxy-ethoxy)-4-o-tolylamino-quinolin-3-yl]-butan-1-one
CID 9887258
4-[(5-hydroxy-2-methylphenyl)amino]-N-(propan-2-yl)quinoline-6-carboxamide
CID 25023831
2-[3-(3-hydroxyphenyl)phenyl]-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494801
6,7-Dimethoxy-4-(o-tolylamino)quinoline-3-carboxamide
CID 44570804
Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
4-[(E)-(6-hydroxyquinolin-5-yl)diazenyl]benzoic acid
CID 135829861
1-[8-(2-Hydroxy-ethoxy)-4-(4-hydroxy-2-methyl-phenylamino)-quinolin-3-yl]-butan-1-one
CID 9821224
3-Butyryl-4-(2-methylphenylamino)-8-(3-dimethylaminopropoxy)quinoline
CID 9931129
3-Butyryl-4-(2-methylphenylamino)-8-(2-dimethylaminoethoxy)quinoline
CID 10023371
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-6-hydroxyquinoline
CID 10042634
3-Butyryl-4-(4-hydroxy-2-methylphenylamino)-8-fluoroquinoline
CID 10042756

Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The IUPAC name of 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one (CID 10426157) is 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one.
What is the SMILES notation for 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The canonical SMILES for 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one is CCCC(=O)c1cnc2ccc(O)cc2c1Nc1ccccc1C.
What is the InChIKey of 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
The InChIKey is OAEPPJBDGPGZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-6-19(24)16-12-21-18-10-9-14(23)11-15(18)20(16)22-17-8-5-4-7-13(17)2/h4-5,7-12,23H,3,6H2,1-2H3,(H,21,22).
What are the key properties of 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one?
1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one has a molecular weight of 320.39 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-4-(2-methylanilino)quinolin-3-yl]butan-1-one is sourced from PubChem (CID 10426157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).