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

C17H16Cl2N2O2 — CID 142429457

IUPAC(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H16Cl2N2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23)/t13-,15-/m0/s1
InChIKeyGYYKBAILGJYTGX-ZFWWWQNUSA-N
MW351.23 g/mol
LogP3.62
Rot. Bonds3

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

(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (PubChem CID 142429457) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound Name(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
PubChem CID142429457
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H16Cl2N2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23)/t13-,15-/m0/s1
InChIKeyGYYKBAILGJYTGX-ZFWWWQNUSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
(5S)-N-[(2,4-dichloro-6-methylphenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 155433527
N-[(4-bromo-2-fluorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 156663753
3-(2-chloro-4-fluorophenyl)-1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 161496659
1-[(5S,8R)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]-3-(2,3,4-trifluorophenyl)propan-1-one
CID 158660839
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-1-(3-methyl-2-pyridinyl)-2-oxoimidazolidine-4-carboxamide
CID 71461570
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
3-(4-bromo-2-fluorophenyl)-1-[(5R,8S)-8-hydroxy-5,6,7,8-tetrahydroquinolin-5-yl]propan-1-one
CID 159318532
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The IUPAC name of (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide (CID 142429457) is (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CC[C@H](O)c2ncccc21.
What is the InChIKey of (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
The InChIKey is GYYKBAILGJYTGX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c18-11-4-3-10(14(19)8-11)9-21-17(23)13-5-6-15(22)16-12(13)2-1-7-20-16/h1-4,7-8,13,15,22H,5-6,9H2,(H,21,23)/t13-,15-/m0/s1.
What are the key properties of (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide?
(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-N-[(2,4-dichlorophenyl)methyl]-8-hydroxy-5,6,7,8-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 142429457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).