3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

C18H23N3O2 — CID 110390077

IUPAC3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCN(C)CC3)ccc2[nH]c1=O
InChIInChI=1S/C18H23N3O2/c1-13-11-15-12-14(3-5-16(15)19-18(13)23)4-6-17(22)21-9-7-20(2)8-10-21/h3,5,11-12H,4,6-10H2,1-2H3,(H,19,23)
InChIKeyXFBXSRAWLHCFFN-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.54
Rot. Bonds3

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

3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110390077) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110390077
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CCC(=O)N3CCN(C)CC3)ccc2[nH]c1=O
InChIInChI=1S/C18H23N3O2/c1-13-11-15-12-14(3-5-16(15)19-18(13)23)4-6-17(22)21-9-7-20(2)8-10-21/h3,5,11-12H,4,6-10H2,1-2H3,(H,19,23)
InChIKeyXFBXSRAWLHCFFN-UHFFFAOYSA-N
XLogP1.54
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methyl-1H-quinolin-2-one
CID 110390110
N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198755
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-(2-methylphenyl)propanamide
CID 110390135
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390145
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
3-methyl-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110683403
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (CID 110390077) is 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is Cc1cc2cc(CCC(=O)N3CCN(C)CC3)ccc2[nH]c1=O.
What is the InChIKey of 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is XFBXSRAWLHCFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-11-15-12-14(3-5-16(15)19-18(13)23)4-6-17(22)21-9-7-20(2)8-10-21/h3,5,11-12H,4,6-10H2,1-2H3,(H,19,23).
What are the key properties of 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110390077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).