[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone

C23H24N2O — CID 903821

IUPAC[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O/c1-16-7-9-18(10-8-16)22-15-20(19-5-3-4-6-21(19)24-22)23(26)25-13-11-17(2)12-14-25/h3-10,15,17H,11-14H2,1-2H3
InChIKeyVACWAGUGGDBUFL-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.08
Rot. Bonds2

About [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 903821) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID903821
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O/c1-16-7-9-18(10-8-16)22-15-20(19-5-3-4-6-21(19)24-22)23(26)25-13-11-17(2)12-14-25/h3-10,15,17H,11-14H2,1-2H3
InChIKeyVACWAGUGGDBUFL-UHFFFAOYSA-N
XLogP5.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 903821) is [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is VACWAGUGGDBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-16-7-9-18(10-8-16)22-15-20(19-5-3-4-6-21(19)24-22)23(26)25-13-11-17(2)12-14-25/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)quinolin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 903821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).