[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone

C22H22N2O — CID 3533983

IUPAC[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O/c1-16-8-7-9-17(14-16)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3
InChIKeyHOAVZDPUZXYRBM-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.84
Rot. Bonds2

About [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone

[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 3533983) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID3533983
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O/c1-16-8-7-9-17(14-16)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3
InChIKeyHOAVZDPUZXYRBM-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 896066
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (CID 3533983) is [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is Cc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is HOAVZDPUZXYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-8-7-9-17(14-16)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3.
What are the key properties of [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3533983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).