(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide

C18H18Cl2N2O2 — CID 155433527

IUPAC(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC(O)c2ncccc21
InChIInChI=1S/C18H18Cl2N2O2/c1-10-7-11(19)8-15(20)14(10)9-22-18(24)13-4-5-16(23)17-12(13)3-2-6-21-17/h2-3,6-8,13,16,23H,4-5,9H2,1H3,(H,22,24)/t13-,16?/m0/s1
InChIKeyGSRGZWQUIBJBHH-KNVGNIICSA-N
MW365.26 g/mol
LogP3.92
Rot. Bonds3

About (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide

(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 155433527) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID155433527
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC(O)c2ncccc21
InChIInChI=1S/C18H18Cl2N2O2/c1-10-7-11(19)8-15(20)14(10)9-22-18(24)13-4-5-16(23)17-12(13)3-2-6-21-17/h2-3,6-8,13,16,23H,4-5,9H2,1H3,(H,22,24)/t13-,16?/m0/s1
InChIKeyGSRGZWQUIBJBHH-KNVGNIICSA-N
XLogP3.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 142429457
N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663898
N-[(4-chloro-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663760
N-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663821
N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663753
N-[(2,4-dichloro-6-methoxyphenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-3-carboxamide
CID 71698811
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153
1-[(5S,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660838
1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660839
(3R)-1-(3-chloro-4-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 92985896

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 155433527) is (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCC(O)c2ncccc21.
What is the InChIKey of (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is GSRGZWQUIBJBHH-KNVGNIICSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-10-7-11(19)8-15(20)14(10)9-22-18(24)13-4-5-16(23)17-12(13)3-2-6-21-17/h2-3,6-8,13,16,23H,4-5,9H2,1H3,(H,22,24)/t13-,16?/m0/s1.
What are the key properties of (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 155433527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).