[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

C24H27N3O — CID 26692426

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O/c1-17(2)23-16-21(20-9-4-5-10-22(20)25-23)24(28)27-13-11-26(12-14-27)19-8-6-7-18(3)15-19/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRAXCBTJLKWKZKS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.63
Rot. Bonds3

About [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (PubChem CID 26692426) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
PubChem CID26692426
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)c1
InChIInChI=1S/C24H27N3O/c1-17(2)23-16-21(20-9-4-5-10-22(20)25-23)24(28)27-13-11-26(12-14-27)19-8-6-7-18(3)15-19/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRAXCBTJLKWKZKS-UHFFFAOYSA-N
XLogP4.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 26737251
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 166179967
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[4-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 51206249
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
(3S,4S)-4-methyl-1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952970
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone (CID 26692426) is [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is Cc1cccc(N2CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
The InChIKey is RAXCBTJLKWKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17(2)23-16-21(20-9-4-5-10-22(20)25-23)24(28)27-13-11-26(12-14-27)19-8-6-7-18(3)15-19/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone?
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 26692426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).