(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C17H15Cl2FN2O — CID 6991795

IUPAC(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O/c1-10-2-3-11-8-12(20)4-7-16(11)22(10)17(23)21-13-5-6-14(18)15(19)9-13/h4-10H,2-3H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyYNXCMMQKVRXFRQ-SNVBAGLBSA-N
MW353.22 g/mol
LogP5.51
Rot. Bonds1

About (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 6991795) has the molecular formula C17H15Cl2FN2O and a molecular weight of 353.22 g/mol. Its IUPAC name is (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID6991795
Molecular FormulaC17H15Cl2FN2O
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESC[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2FN2O/c1-10-2-3-11-8-12(20)4-7-16(11)22(10)17(23)21-13-5-6-14(18)15(19)9-13/h4-10H,2-3H2,1H3,(H,21,23)/t10-/m1/s1
InChIKeyYNXCMMQKVRXFRQ-SNVBAGLBSA-N
XLogP5.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.22
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 6991795) is (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is C[C@@H]1CCc2cc(F)ccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is YNXCMMQKVRXFRQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O/c1-10-2-3-11-8-12(20)4-7-16(11)22(10)17(23)21-13-5-6-14(18)15(19)9-13/h4-10H,2-3H2,1H3,(H,21,23)/t10-/m1/s1.
What are the key properties of (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
(2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 353.22 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dichlorophenyl)-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 6991795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).