(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

C23H26N4O — CID 51206249

IUPAC(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-17(2)22-15-20(19-5-3-4-6-21(19)25-22)23(28)27-13-11-26(12-14-27)16-18-7-9-24-10-8-18/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyUWKDSXMZFAAJFX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.71
Rot. Bonds4

About (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 51206249) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
PubChem CID51206249
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc2n1
InChIInChI=1S/C23H26N4O/c1-17(2)22-15-20(19-5-3-4-6-21(19)25-22)23(28)27-13-11-26(12-14-27)16-18-7-9-24-10-8-18/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyUWKDSXMZFAAJFX-UHFFFAOYSA-N
XLogP3.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-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-aminoethyl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119520643
1-(2-methylpiperidin-1-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 55563722
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119664455
1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355193
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(trifluoromethyl)quinolin-3-yl]methanone
CID 78844795
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26766469
(3S,4S)-4-methyl-1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952970

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 51206249) is (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc2n1.
What is the InChIKey of (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UWKDSXMZFAAJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)22-15-20(19-5-3-4-6-21(19)25-22)23(28)27-13-11-26(12-14-27)16-18-7-9-24-10-8-18/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 51206249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).