[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

C30H31N3O — CID 4283982

IUPAC[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C30H31N3O/c1-21(2)23-10-12-24(13-11-23)29-20-27(26-19-22(3)9-14-28(26)31-29)30(34)33-17-15-32(16-18-33)25-7-5-4-6-8-25/h4-14,19-21H,15-18H2,1-3H3
InChIKeyBPUHCSIBWUKCLD-UHFFFAOYSA-N
MW449.60 g/mol
LogP6.30
Rot. Bonds4

About [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4283982) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID4283982
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC Name[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C30H31N3O/c1-21(2)23-10-12-24(13-11-23)29-20-27(26-19-22(3)9-14-28(26)31-29)30(34)33-17-15-32(16-18-33)25-7-5-4-6-8-25/h4-14,19-21H,15-18H2,1-3H3
InChIKeyBPUHCSIBWUKCLD-UHFFFAOYSA-N
XLogP6.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone
CID 17375510
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3286771
[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3712808
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 17087821
6-methyl-2-(4-pyrrolidin-1-ylphenyl)quinoline-4-carboxylic acid
CID 168514407
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(7-chloro-8-methyl-2-phenylquinolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17372354
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
[6-bromo-2-(4-methylphenyl)quinolin-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 5228625

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 4283982) is [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BPUHCSIBWUKCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-21(2)23-10-12-24(13-11-23)29-20-27(26-19-22(3)9-14-28(26)31-29)30(34)33-17-15-32(16-18-33)25-7-5-4-6-8-25/h4-14,19-21H,15-18H2,1-3H3.
What are the key properties of [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 449.60 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-propan-2-ylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4283982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).