[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone

C28H26N6O — CID 108810889

IUPAC[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)nc2ccccc12
InChIInChI=1S/C28H26N6O/c1-19-17-27(31-25-10-6-4-8-22(19)25)32-13-15-33(16-14-32)28(35)23-18-29-34(20(23)2)26-12-11-21-7-3-5-9-24(21)30-26/h3-12,17-18H,13-16H2,1-2H3
InChIKeyBYFSHJBLZUEAEK-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.55
Rot. Bonds3

About [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone

[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone (PubChem CID 108810889) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
PubChem CID108810889
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)nc2ccccc12
InChIInChI=1S/C28H26N6O/c1-19-17-27(31-25-10-6-4-8-22(19)25)32-13-15-33(16-14-32)28(35)23-18-29-34(20(23)2)26-12-11-21-7-3-5-9-24(21)30-26/h3-12,17-18H,13-16H2,1-2H3
InChIKeyBYFSHJBLZUEAEK-UHFFFAOYSA-N
XLogP4.55
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone with MolForge

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Related Compounds

(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810872
[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone
CID 108810847
(2-bromophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765029
1-methyl-5-[4-(4-methylquinolin-2-yl)piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 29096210
(2-fluorophenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765021
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 60526988
4-(4-methylquinolin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide;hydrochloride
CID 45370344
1'-(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810861
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765024
(4-ethoxyphenyl)-[4-(4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108765053

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone (CID 108810889) is [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone is Cc1cc(N2CCN(C(=O)c3cnn(-c4ccc5ccccc5n4)c3C)CC2)nc2ccccc12.
What is the InChIKey of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
The InChIKey is BYFSHJBLZUEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-19-17-27(31-25-10-6-4-8-22(19)25)32-13-15-33(16-14-32)28(35)23-18-29-34(20(23)2)26-12-11-21-7-3-5-9-24(21)30-26/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone?
[4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone has a molecular weight of 462.56 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylquinolin-2-yl)piperazin-1-yl]-(5-methyl-1-quinolin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 108810889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).