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

C20H22N4O2 — CID 56714788

IUPAC7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(c4ccncc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c1-26-18-3-2-15-12-16(20(25)22-19(15)13-18)14-23-8-10-24(11-9-23)17-4-6-21-7-5-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)
InChIKeyFNEDRHLUTDNOCL-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.25
Rot. Bonds4

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

7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 56714788) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID56714788
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(c4ccncc4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H22N4O2/c1-26-18-3-2-15-12-16(20(25)22-19(15)13-18)14-23-8-10-24(11-9-23)17-4-6-21-7-5-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25)
InChIKeyFNEDRHLUTDNOCL-UHFFFAOYSA-N
XLogP2.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 110363209
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
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
6-methoxy-3-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 56904800
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
7-methoxy-3-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039
(3S)-3-amino-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95229329
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
CID 6485174

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 56714788) is 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is COc1ccc2cc(CN3CCN(c4ccncc4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is FNEDRHLUTDNOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-18-3-2-15-12-16(20(25)22-19(15)13-18)14-23-8-10-24(11-9-23)17-4-6-21-7-5-17/h2-7,12-13H,8-11,14H2,1H3,(H,22,25).
What are the key properties of 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56714788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).