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

C20H21N3O3S — CID 110363214

IUPAC7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(C(=O)c4cccs4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O3S/c1-26-16-5-4-14-11-15(19(24)21-17(14)12-16)13-22-6-8-23(9-7-22)20(25)18-3-2-10-27-18/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)
InChIKeyFXOQKLCQHSAWEU-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.56
Rot. Bonds4

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

7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 110363214) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID110363214
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(CN3CCN(C(=O)c4cccs4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C20H21N3O3S/c1-26-16-5-4-14-11-15(19(24)21-17(14)12-16)13-22-6-8-23(9-7-22)20(25)18-3-2-10-27-18/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)
InChIKeyFXOQKLCQHSAWEU-UHFFFAOYSA-N
XLogP2.56
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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
3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(3S,4R)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70727175
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
3-[[4-(3-hydroxyphenyl)piperidin-1-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 56719260
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
phenyl 4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363139
oxalic acid;thiophen-2-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17366168
4-[(3S)-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97209780
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 38125181

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one (CID 110363214) is 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is COc1ccc2cc(CN3CCN(C(=O)c4cccs4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is FXOQKLCQHSAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-16-5-4-14-11-15(19(24)21-17(14)12-16)13-22-6-8-23(9-7-22)20(25)18-3-2-10-27-18/h2-5,10-12H,6-9,13H2,1H3,(H,21,24).
What are the key properties of 7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one?
7-methoxy-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 383.47 g/mol, XLogP of 2.56, 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-(thiophene-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 110363214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).