(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone

C16H19N3O — CID 60634828

IUPAC(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-12-11-14(13-5-3-4-6-15(13)17-12)16(20)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3
InChIKeyVPWCZXSRPDJUJX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.93
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone

(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone (PubChem CID 60634828) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
PubChem CID60634828
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-12-11-14(13-5-3-4-6-15(13)17-12)16(20)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3
InChIKeyVPWCZXSRPDJUJX-UHFFFAOYSA-N
XLogP1.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 62045092
[2-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 92638584
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 9166165
N-(3-chloro-4-methylphenyl)-4-(2-methylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 60557510

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone (CID 60634828) is (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCN(C)CC2)c2ccccc2n1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone?
The InChIKey is VPWCZXSRPDJUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-14(13-5-3-4-6-15(13)17-12)16(20)19-9-7-18(2)8-10-19/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone?
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone has a molecular weight of 269.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 60634828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).