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

C22H29N3O3 — CID 110363209

IUPAC3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(C(=O)C4CCCCC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H29N3O3/c1-28-19-8-7-17-13-18(21(26)23-20(17)14-19)15-24-9-11-25(12-10-24)22(27)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,26)
InChIKeyZSETUBKBLSVIDT-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.76
Rot. Bonds4

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

3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 110363209) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID110363209
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(C(=O)C4CCCCC4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H29N3O3/c1-28-19-8-7-17-13-18(21(26)23-20(17)14-19)15-24-9-11-25(12-10-24)22(27)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,26)
InChIKeyZSETUBKBLSVIDT-UHFFFAOYSA-N
XLogP2.76
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110363214
7-methyl-3-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56751376
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
7-methoxy-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 56714788
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 110363318
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-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 95216039

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one (CID 110363209) is 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(CN3CCN(C(=O)C4CCCCC4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is ZSETUBKBLSVIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-28-19-8-7-17-13-18(21(26)23-20(17)14-19)15-24-9-11-25(12-10-24)22(27)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12,15H2,1H3,(H,23,26).
What are the key properties of 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one?
3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 383.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 110363209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).