(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C21H23N5O — CID 26737251

IUPAC(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C21H23N5O/c1-15(2)19-14-17(16-6-3-4-7-18(16)24-19)20(27)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyJANMZABSOCYYPH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.11
Rot. Bonds3

About (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 26737251) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID26737251
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2n1
InChIInChI=1S/C21H23N5O/c1-15(2)19-14-17(16-6-3-4-7-18(16)24-19)20(27)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyJANMZABSOCYYPH-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
1-(2-propan-2-ylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 154737644
[4-(3-methylphenyl)piperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26692426
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
(2-propan-2-ylquinolin-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 51206249
[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
(3S,4S)-4-methyl-1-(2-propan-2-ylquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952970
[(3R)-3-aminopyrrolidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119413204
[3-(methylamino)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119493389
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 26766469

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 26737251) is (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CC(C)c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2ccccc2n1.
What is the InChIKey of (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JANMZABSOCYYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15(2)19-14-17(16-6-3-4-7-18(16)24-19)20(27)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 26737251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).