3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one

C23H31N3O3 — CID 53174775

IUPAC3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C4CCCCC4)CC3)cc2c1
InChIInChI=1S/C23H31N3O3/c1-29-20-8-9-21-18(16-20)15-17(23(28)24-21)7-10-22(27)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h8-9,15-16,19H,2-7,10-14H2,1H3,(H,24,28)
InChIKeySOZMCCHZNMYQSY-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.95
Rot. Bonds5

About 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one

3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one (PubChem CID 53174775) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
PubChem CID53174775
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C4CCCCC4)CC3)cc2c1
InChIInChI=1S/C23H31N3O3/c1-29-20-8-9-21-18(16-20)15-17(23(28)24-21)7-10-22(27)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h8-9,15-16,19H,2-7,10-14H2,1H3,(H,24,28)
InChIKeySOZMCCHZNMYQSY-UHFFFAOYSA-N
XLogP2.95
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174733
3-[4-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazin-1-yl]propanenitrile
CID 53174771
ethyl 4-[3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110298870
N-[2-[(2R)-2-ethylpiperidin-1-yl]ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 95103360
3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
6-methoxy-3-[3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110416263
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one (CID 53174775) is 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C4CCCCC4)CC3)cc2c1.
What is the InChIKey of 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one?
The InChIKey is SOZMCCHZNMYQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-29-20-8-9-21-18(16-20)15-17(23(28)24-21)7-10-22(27)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h8-9,15-16,19H,2-7,10-14H2,1H3,(H,24,28).
What are the key properties of 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one?
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one has a molecular weight of 397.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 53174775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).