(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

C19H19Cl2N3O2 — CID 100659031

IUPAC(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCc2cccnc21
InChIInChI=1S/C19H19Cl2N3O2/c1-24(11-16(25)23-18-14(20)8-3-9-15(18)21)19(26)13-7-2-5-12-6-4-10-22-17(12)13/h3-4,6,8-10,13H,2,5,7,11H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyTYJVBEORQQAYFG-ZDUSSCGKSA-N
MW392.29 g/mol
LogP3.91
Rot. Bonds4

About (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide

(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 100659031) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound Name(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID100659031
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCc2cccnc21
InChIInChI=1S/C19H19Cl2N3O2/c1-24(11-16(25)23-18-14(20)8-3-9-15(18)21)19(26)13-7-2-5-12-6-4-10-22-17(12)13/h3-4,6,8-10,13H,2,5,7,11H2,1H3,(H,23,25)/t13-/m0/s1
InChIKeyTYJVBEORQQAYFG-ZDUSSCGKSA-N
XLogP3.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-7-carboxamide
CID 122134812
N-(cyclohexylmethyl)-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287227
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
(5-methyloxolan-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782292
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
(8R)-N-(3-chloro-4-cyanophenyl)-N-ethyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124721725

Frequently Asked Questions

What is the IUPAC name of (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 100659031) is (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCCc2cccnc21.
What is the InChIKey of (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is TYJVBEORQQAYFG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-24(11-16(25)23-18-14(20)8-3-9-15(18)21)19(26)13-7-2-5-12-6-4-10-22-17(12)13/h3-4,6,8-10,13H,2,5,7,11H2,1H3,(H,23,25)/t13-/m0/s1.
What are the key properties of (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide?
(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 392.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 100659031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).