(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one

C22H26N2O3 — CID 6965989

IUPAC(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESCC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)C1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-14-19(22(27)24-11-3-2-4-12-24)20(15-7-5-8-16(25)13-15)21-17(23-14)9-6-10-18(21)26/h5,7-8,13,19-20,25H,2-4,6,9-12H2,1H3/t19?,20-/m0/s1
InChIKeyAHEATBVEKVEVHN-ANYOKISRSA-N
MW366.46 g/mol
LogP3.59
Rot. Bonds2

About (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one

(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one (PubChem CID 6965989) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one.

Molecular Properties

Compound Name(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
PubChem CID6965989
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESCC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)C1C(=O)N1CCCCC1
InChIInChI=1S/C22H26N2O3/c1-14-19(22(27)24-11-3-2-4-12-24)20(15-7-5-8-16(25)13-15)21-17(23-14)9-6-10-18(21)26/h5,7-8,13,19-20,25H,2-4,6,9-12H2,1H3/t19?,20-/m0/s1
InChIKeyAHEATBVEKVEVHN-ANYOKISRSA-N
XLogP3.59
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-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

cyclopentyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967157
propyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7066119
2-phenoxyethyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7102642
2-phenoxyethyl (4S)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7102643
(4R)-2-methyl-4-(4-methylsulfanylphenyl)-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 6965996
ethyl (4S)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089370
propyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089262
propyl (4S)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089129
2-methoxyethyl (4R)-4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7087523
2-ethoxyethyl (4R)-4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7312921
(4R)-4-(2-chlorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-5-one
CID 7089562
2-ethylsulfanylethyl (4R)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7388250

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The IUPAC name of (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one (CID 6965989) is (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one.
What is the SMILES notation for (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The canonical SMILES for (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one is CC1=NC2=C(C(=O)CCC2)[C@@H](c2cccc(O)c2)C1C(=O)N1CCCCC1.
What is the InChIKey of (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The InChIKey is AHEATBVEKVEVHN-ANYOKISRSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-19(22(27)24-11-3-2-4-12-24)20(15-7-5-8-16(25)13-15)21-17(23-14)9-6-10-18(21)26/h5,7-8,13,19-20,25H,2-4,6,9-12H2,1H3/t19?,20-/m0/s1.
What are the key properties of (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one?
(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one has a molecular weight of 366.46 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one is sourced from PubChem (CID 6965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).