3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one

C22H24N2O3 — CID 56719260

IUPAC3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC(c4cccc(O)c4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O3/c1-27-20-6-5-17-11-18(22(26)23-21(17)13-20)14-24-9-7-15(8-10-24)16-3-2-4-19(25)12-16/h2-6,11-13,15,25H,7-10,14H2,1H3,(H,23,26)
InChIKeyMCYVPEAZJMDPGO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.62
Rot. Bonds4

About 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one

3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 56719260) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID56719260
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCC(c4cccc(O)c4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O3/c1-27-20-6-5-17-11-18(22(26)23-21(17)13-20)14-24-9-7-15(8-10-24)16-3-2-4-19(25)12-16/h2-6,11-13,15,25H,7-10,14H2,1H3,(H,23,26)
InChIKeyMCYVPEAZJMDPGO-UHFFFAOYSA-N
XLogP3.62
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
7-methoxy-3-[[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95210664
7-methoxy-3-[[3-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56708818
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
methyl 1-[(7-methylsulfanyl-2-oxo-1H-quinolin-3-yl)methyl]piperidine-4-carboxylate
CID 56719378
deuterioethane;3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]phenol;3-[[3-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-indole;tribromoborane
CID 158056167
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (CID 56719260) is 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN3CCC(c4cccc(O)c4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is MCYVPEAZJMDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-20-6-5-17-11-18(22(26)23-21(17)13-20)14-24-9-7-15(8-10-24)16-3-2-4-19(25)12-16/h2-6,11-13,15,25H,7-10,14H2,1H3,(H,23,26).
What are the key properties of 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 56719260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).