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

C24H27N3O — CID 119594358

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C(C)N)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O/c1-16-9-11-18(12-10-16)23-14-21(20-7-3-4-8-22(20)26-23)24(28)27-13-5-6-19(15-27)17(2)25/h3-4,7-12,14,17,19H,5-6,13,15,25H2,1-2H3
InChIKeyWNJWSZMKILYCQS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.41
Rot. Bonds3

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

[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone (PubChem CID 119594358) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
PubChem CID119594358
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C(C)N)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H27N3O/c1-16-9-11-18(12-10-16)23-14-21(20-7-3-4-8-22(20)26-23)24(28)27-13-5-6-19(15-27)17(2)25/h3-4,7-12,14,17,19H,5-6,13,15,25H2,1-2H3
InChIKeyWNJWSZMKILYCQS-UHFFFAOYSA-N
XLogP4.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956
[3-(1-aminoethyl)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 119593321
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[4-(1-aminoethyl)piperidin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 119519440
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone (CID 119594358) is [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(C(C)N)C3)c3ccccc3n2)cc1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
The InChIKey is WNJWSZMKILYCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-9-11-18(12-10-16)23-14-21(20-7-3-4-8-22(20)26-23)24(28)27-13-5-6-19(15-27)17(2)25/h3-4,7-12,14,17,19H,5-6,13,15,25H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 119594358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).