1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one

C19H25N3O — CID 110644995

IUPAC1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc3ccccc3cc2C)CC1
InChIInChI=1S/C19H25N3O/c1-3-4-9-18(23)21-10-12-22(13-11-21)19-15(2)14-16-7-5-6-8-17(16)20-19/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyZZKCOFSBEIHQIL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.38
Rot. Bonds4

About 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one

1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one (PubChem CID 110644995) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
PubChem CID110644995
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2nc3ccccc3cc2C)CC1
InChIInChI=1S/C19H25N3O/c1-3-4-9-18(23)21-10-12-22(13-11-21)19-15(2)14-16-7-5-6-8-17(16)20-19/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyZZKCOFSBEIHQIL-UHFFFAOYSA-N
XLogP3.38
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506609
ethyl 3-methyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylate
CID 133387250
2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854935
4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
CID 133391264
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
3-ethyl-1-(3-methylquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 63229377
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
1-[4-[3-(aminomethyl)quinolin-2-yl]piperazin-1-yl]ethanone
CID 28965186
4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one (CID 110644995) is 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2nc3ccccc3cc2C)CC1.
What is the InChIKey of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one?
The InChIKey is ZZKCOFSBEIHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-9-18(23)21-10-12-22(13-11-21)19-15(2)14-16-7-5-6-8-17(16)20-19/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one?
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110644995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).