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

C24H30N2O3 — CID 67770430

IUPAC6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C2(O)CCN(C(O)CCc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17-2-7-20(8-3-17)24(29)12-14-26(15-13-24)23(28)11-5-18-4-9-21-19(16-18)6-10-22(27)25-21/h2-4,7-9,16,23,28-29H,5-6,10-15H2,1H3,(H,25,27)
InChIKeyMXWVXWYYFREHAI-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.11
Rot. Bonds5

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

6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 67770430) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID67770430
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(C2(O)CCN(C(O)CCc3ccc4c(c3)CCC(=O)N4)CC2)cc1
InChIInChI=1S/C24H30N2O3/c1-17-2-7-20(8-3-17)24(29)12-14-26(15-13-24)23(28)11-5-18-4-9-21-19(16-18)6-10-22(27)25-21/h2-4,7-9,16,23,28-29H,5-6,10-15H2,1H3,(H,25,27)
InChIKeyMXWVXWYYFREHAI-UHFFFAOYSA-N
XLogP3.11
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[1-hydroxy-2-[4-hydroxy-4-(3-methylphenyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 22736934
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
7-fluoro-5-[3-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]-1,3-dihydroindol-2-one
CID 67770290
6-[1-hydroxy-3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13064857
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
6-[1-chloro-2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083968
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
6-[2-[4-(5-chlorothiophen-2-yl)-4-hydroxypiperidin-1-yl]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 23160541
6-[2-(4-hydroxypiperidin-1-yl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 96669721
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762

Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one (CID 67770430) is 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(C2(O)CCN(C(O)CCc3ccc4c(c3)CCC(=O)N4)CC2)cc1.
What is the InChIKey of 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MXWVXWYYFREHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17-2-7-20(8-3-17)24(29)12-14-26(15-13-24)23(28)11-5-18-4-9-21-19(16-18)6-10-22(27)25-21/h2-4,7-9,16,23,28-29H,5-6,10-15H2,1H3,(H,25,27).
What are the key properties of 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxy-3-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 67770430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).