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

C17H15Cl2FN2O2 — CID 135330685

IUPAC(5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1c(Cl)cccc1Cl)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-4-1-5-13(19)10(12)9-22-16(24)17(20)7-6-14(23)15-11(17)3-2-8-21-15/h1-5,8,14,23H,6-7,9H2,(H,22,24)/t14-,17-/m0/s1
InChIKeyQNVAFOLPHAQBHR-YOEHRIQHSA-N
MW369.22 g/mol
LogP3.70
Rot. Bonds3

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

(5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (PubChem CID 135330685) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.

Molecular Properties

Compound Name(5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
PubChem CID135330685
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name(5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
SMILESO=C(NCc1c(Cl)cccc1Cl)[C@]1(F)CC[C@H](O)c2ncccc21
InChIInChI=1S/C17H15Cl2FN2O2/c18-12-4-1-5-13(19)10(12)9-22-16(24)17(20)7-6-14(23)15-11(17)3-2-8-21-15/h1-5,8,14,23H,6-7,9H2,(H,22,24)/t14-,17-/m0/s1
InChIKeyQNVAFOLPHAQBHR-YOEHRIQHSA-N
XLogP3.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The IUPAC name of (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide (CID 135330685) is (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide.
What is the SMILES notation for (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The canonical SMILES for (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is O=C(NCc1c(Cl)cccc1Cl)[C@]1(F)CC[C@H](O)c2ncccc21.
What is the InChIKey of (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
The InChIKey is QNVAFOLPHAQBHR-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c18-12-4-1-5-13(19)10(12)9-22-16(24)17(20)7-6-14(23)15-11(17)3-2-8-21-15/h1-5,8,14,23H,6-7,9H2,(H,22,24)/t14-,17-/m0/s1.
What are the key properties of (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide?
(5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-N-[(2,6-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide is sourced from PubChem (CID 135330685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).