2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C19H21ClN2O — CID 109007328

IUPAC2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(C)c(NCC(=O)N2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-12-18(23)22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11,21H,5,7,9,12H2,1-2H3
InChIKeyGPJQBDYLWUMASS-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.35
Rot. Bonds3

About 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 109007328) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID109007328
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cc(C)c(NCC(=O)N2CCCc3ccccc32)c(Cl)c1
InChIInChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-12-18(23)22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11,21H,5,7,9,12H2,1-2H3
InChIKeyGPJQBDYLWUMASS-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686364
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339169
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
CID 54819245
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 109007328) is 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cc(C)c(NCC(=O)N2CCCc3ccccc32)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is GPJQBDYLWUMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-13-10-14(2)19(16(20)11-13)21-12-18(23)22-9-5-7-15-6-3-4-8-17(15)22/h3-4,6,8,10-11,21H,5,7,9,12H2,1-2H3.
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 328.84 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 109007328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).