(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

C18H18ClFN2O2 — CID 135330665

IUPAC(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(F)CC[C@H](O)c3ncccc32)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-11-4-5-12(14(19)9-11)10-22-17(24)18(20)7-6-15(23)16-13(18)3-2-8-21-16/h2-5,8-9,15,23H,6-7,10H2,1H3,(H,22,24)/t15-,18-/m0/s1
InChIKeyYYNFXPNCORZADY-YJBOKZPZSA-N
MW348.81 g/mol
LogP3.35
Rot. Bonds3

About (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide

(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 135330665) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound Name(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID135330665
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESCc1ccc(CNC(=O)[C@]2(F)CC[C@H](O)c3ncccc32)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O2/c1-11-4-5-12(14(19)9-11)10-22-17(24)18(20)7-6-15(23)16-13(18)3-2-8-21-16/h2-5,8-9,15,23H,6-7,10H2,1H3,(H,22,24)/t15-,18-/m0/s1
InChIKeyYYNFXPNCORZADY-YJBOKZPZSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 135330665) is (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is Cc1ccc(CNC(=O)[C@]2(F)CC[C@H](O)c3ncccc32)c(Cl)c1.
What is the InChIKey of (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is YYNFXPNCORZADY-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-11-4-5-12(14(19)9-11)10-22-17(24)18(20)7-6-15(23)16-13(18)3-2-8-21-16/h2-5,8-9,15,23H,6-7,10H2,1H3,(H,22,24)/t15-,18-/m0/s1.
What are the key properties of (5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
(5S,8S)-N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 348.81 g/mol, XLogP of 3.35, 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-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 135330665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).