7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one

C18H25N3O — CID 170864276

IUPAC7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CCCN3CCN(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-14-5-6-15-13-16(18(22)19-17(15)12-14)4-3-7-21-10-8-20(2)9-11-21/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,19,22)
InChIKeyCAUGKSKGUFFFEB-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.02
Rot. Bonds4

About 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one

7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one (PubChem CID 170864276) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
PubChem CID170864276
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCc1ccc2cc(CCCN3CCN(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-14-5-6-15-13-16(18(22)19-17(15)12-14)4-3-7-21-10-8-20(2)9-11-21/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,19,22)
InChIKeyCAUGKSKGUFFFEB-UHFFFAOYSA-N
XLogP2.02
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870829
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424
7-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)-1H-quinolin-2-one
CID 56720957
4-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110363142
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
3-[[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56748014
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The IUPAC name of 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one (CID 170864276) is 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one is Cc1ccc2cc(CCCN3CCN(C)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The InChIKey is CAUGKSKGUFFFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-5-6-15-13-16(18(22)19-17(15)12-14)4-3-7-21-10-8-20(2)9-11-21/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,19,22).
What are the key properties of 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one has a molecular weight of 299.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1H-quinolin-2-one is sourced from PubChem (CID 170864276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).