[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

C25H27ClN2O — CID 17372831

IUPAC[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCCC3C)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C25H27ClN2O/c1-4-18-8-10-19(11-9-18)23-15-21(25(29)28-14-6-5-7-16(28)2)20-12-13-22(26)17(3)24(20)27-23/h8-13,15-16H,4-7,14H2,1-3H3
InChIKeyKTZXOYCQXZREJS-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.44
Rot. Bonds3

About [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 17372831) has the molecular formula C25H27ClN2O and a molecular weight of 406.96 g/mol. Its IUPAC name is [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID17372831
Molecular FormulaC25H27ClN2O
Molecular Weight406.96 g/mol
Exact Mass406.18
IUPAC Name[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCCC3C)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C25H27ClN2O/c1-4-18-8-10-19(11-9-18)23-15-21(25(29)28-14-6-5-7-16(28)2)20-12-13-22(26)17(3)24(20)27-23/h8-13,15-16H,4-7,14H2,1-3H3
InChIKeyKTZXOYCQXZREJS-UHFFFAOYSA-N
XLogP6.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-7-chloro-2-(4-ethylphenyl)-8-methylquinoline-4-carboxamide
CID 17372353
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[7-ethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2-methylazepan-1-yl)methanone
CID 145178705

Frequently Asked Questions

What is the IUPAC name of [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 17372831) is [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is CCc1ccc(-c2cc(C(=O)N3CCCCC3C)c3ccc(Cl)c(C)c3n2)cc1.
What is the InChIKey of [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is KTZXOYCQXZREJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O/c1-4-18-8-10-19(11-9-18)23-15-21(25(29)28-14-6-5-7-16(28)2)20-12-13-22(26)17(3)24(20)27-23/h8-13,15-16H,4-7,14H2,1-3H3.
What are the key properties of [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 406.96 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 17372831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).