[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

C26H27N5O — CID 19518978

IUPAC[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H27N5O/c1-19-7-3-4-8-20(19)18-30-11-13-31(14-12-30)26(32)23-15-25(21-16-27-29(2)17-21)28-24-10-6-5-9-22(23)24/h3-10,15-17H,11-14,18H2,1-2H3
InChIKeyRZOPBIPRKDJXFL-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.90
Rot. Bonds4

About [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 19518978) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID19518978
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H27N5O/c1-19-7-3-4-8-20(19)18-30-11-13-31(14-12-30)26(32)23-15-25(21-16-27-29(2)17-21)28-24-10-6-5-9-22(23)24/h3-10,15-17H,11-14,18H2,1-2H3
InChIKeyRZOPBIPRKDJXFL-UHFFFAOYSA-N
XLogP3.90
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone with MolForge

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Related Compounds

N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518422
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19518889
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 39979125
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518929
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19518878
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone (CID 19518978) is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is Cc1ccccc1CN1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3ccccc23)CC1.
What is the InChIKey of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is RZOPBIPRKDJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-7-3-4-8-20(19)18-30-11-13-31(14-12-30)26(32)23-15-25(21-16-27-29(2)17-21)28-24-10-6-5-9-22(23)24/h3-10,15-17H,11-14,18H2,1-2H3.
What are the key properties of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone?
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 425.54 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 19518978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).