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

C18H23N3O2 — CID 110331072

IUPAC8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cccc2cc(CCC(=O)N3CCN(C)CC3)c(=O)[nH]c12
InChIInChI=1S/C18H23N3O2/c1-13-4-3-5-14-12-15(18(23)19-17(13)14)6-7-16(22)21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23)
InChIKeyNKZIRNYGNUOYIS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.54
Rot. Bonds3

About 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one

8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (PubChem CID 110331072) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
PubChem CID110331072
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
SMILESCc1cccc2cc(CCC(=O)N3CCN(C)CC3)c(=O)[nH]c12
InChIInChI=1S/C18H23N3O2/c1-13-4-3-5-14-12-15(18(23)19-17(13)14)6-7-16(22)21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23)
InChIKeyNKZIRNYGNUOYIS-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

8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331456
N-cyclopropyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331054
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
N-tert-butyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331121
6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
N-[(2-fluorophenyl)methyl]-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331083
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
CID 110363088

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one (CID 110331072) is 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is Cc1cccc2cc(CCC(=O)N3CCN(C)CC3)c(=O)[nH]c12.
What is the InChIKey of 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
The InChIKey is NKZIRNYGNUOYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-4-3-5-14-12-15(18(23)19-17(13)14)6-7-16(22)21-10-8-20(2)9-11-21/h3-5,12H,6-11H2,1-2H3,(H,19,23).
What are the key properties of 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one?
8-methyl-3-[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 8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one is sourced from PubChem (CID 110331072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).