6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

C23H28N2O3 — CID 22736934

IUPAC6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C2(O)CCN(CC(O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-16-3-2-4-19(13-16)23(28)9-11-25(12-10-23)15-21(26)18-5-7-20-17(14-18)6-8-22(27)24-20/h2-5,7,13-14,21,26,28H,6,8-12,15H2,1H3,(H,24,27)
InChIKeyNLRSHFCIVLSDSK-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.90
Rot. Bonds4

About 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 22736934) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID22736934
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cccc(C2(O)CCN(CC(O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H28N2O3/c1-16-3-2-4-19(13-16)23(28)9-11-25(12-10-23)15-21(26)18-5-7-20-17(14-18)6-8-22(27)24-20/h2-5,7,13-14,21,26,28H,6,8-12,15H2,1H3,(H,24,27)
InChIKeyNLRSHFCIVLSDSK-UHFFFAOYSA-N
XLogP2.90
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

1-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51501390
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 51503053
N-[4-[(1S)-1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]phenyl]acetamide
CID 51501332
1-[2-hydroxy-2-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)ethyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46953607
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 67770430
4-(4-fluorophenyl)-1-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-ol
CID 51501654
6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13064857
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-hydroxyethyl]-4-(2-methylphenyl)piperidin-4-ol
CID 16673267
6-[(1R)-2-[(3aR)-5-(2,6-difluorophenoxy)-3a-hydroxy-1,3-dihydrocyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 175965443

Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 22736934) is 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is Cc1cccc(C2(O)CCN(CC(O)c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NLRSHFCIVLSDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-3-2-4-19(13-16)23(28)9-11-25(12-10-23)15-21(26)18-5-7-20-17(14-18)6-8-22(27)24-20/h2-5,7,13-14,21,26,28H,6,8-12,15H2,1H3,(H,24,27).
What are the key properties of 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 22736934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).