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

C27H28N4O — CID 42749623

IUPAC[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C27H28N4O/c1-19-10-11-23-21(17-19)22(18-24(28-23)26-9-6-12-29(26)3)27(32)31-15-13-30(14-16-31)25-8-5-4-7-20(25)2/h4-12,17-18H,13-16H2,1-3H3
InChIKeyOJHCGOUGPGIYJX-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.82
Rot. Bonds3

About [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 42749623) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID42749623
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C27H28N4O/c1-19-10-11-23-21(17-19)22(18-24(28-23)26-9-6-12-29(26)3)27(32)31-15-13-30(14-16-31)25-8-5-4-7-20(25)2/h4-12,17-18H,13-16H2,1-3H3
InChIKeyOJHCGOUGPGIYJX-UHFFFAOYSA-N
XLogP4.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749891
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
[4-(2-methylphenyl)piperazin-1-yl]-[3-(1-methylpyrrol-2-yl)-1-phenylpyrazol-5-yl]methanone
CID 3510138
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42750074
[2-(3-bromophenyl)-6-methylquinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 2220574
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4283982

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 42749623) is [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccc2nc(-c3cccn3C)cc(C(=O)N3CCN(c4ccccc4C)CC3)c2c1.
What is the InChIKey of [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is OJHCGOUGPGIYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-19-10-11-23-21(17-19)22(18-24(28-23)26-9-6-12-29(26)3)27(32)31-15-13-30(14-16-31)25-8-5-4-7-20(25)2/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 424.55 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 42749623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).