(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide

C18H15Cl2FN2O — CID 155433742

IUPAC(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
SMILESC=C1CC[C@](F)(C(=O)NCc2ccc(Cl)cc2Cl)c2cccnc21
InChIInChI=1S/C18H15Cl2FN2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(19)9-15(12)20/h2-5,8-9H,1,6-7,10H2,(H,23,24)/t18-/m1/s1
InChIKeyXLTVPFYTCXSNLE-GOSISDBHSA-N
MW365.24 g/mol
LogP4.68
Rot. Bonds3

About (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide

(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide (PubChem CID 155433742) has the molecular formula C18H15Cl2FN2O and a molecular weight of 365.24 g/mol. Its IUPAC name is (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
PubChem CID155433742
Molecular FormulaC18H15Cl2FN2O
Molecular Weight365.24 g/mol
Exact Mass364.05
IUPAC Name(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
SMILESC=C1CC[C@](F)(C(=O)NCc2ccc(Cl)cc2Cl)c2cccnc21
InChIInChI=1S/C18H15Cl2FN2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(19)9-15(12)20/h2-5,8-9H,1,6-7,10H2,(H,23,24)/t18-/m1/s1
InChIKeyXLTVPFYTCXSNLE-GOSISDBHSA-N
XLogP4.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide with MolForge

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433580
(5S)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 142429476
(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 151010120
(5R,8S)-N-[(2,4-dichlorophenyl)methyl]-5-fluorospiro[6,7-dihydroquinoline-8,2'-oxirane]-5-carboxamide
CID 155454214
N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylsulfanyl-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663781
(5S,8R)-8-amino-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-(hydroxymethyl)-6,7-dihydroquinoline-5-carboxamide
CID 153407355
N-[(2-chloro-3-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433596
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756
(5S,8R)-N-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-5-fluoro-8-hydroxy-6,7-dihydroquinoline-5-carboxamide
CID 155454258
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663783
(5S,8S)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-hydroxy-8-(hydroxymethyl)-3-methyl-6,7-dihydroquinoline-5-carboxamide
CID 135330756

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The IUPAC name of (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide (CID 155433742) is (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide.
What is the SMILES notation for (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The canonical SMILES for (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide is C=C1CC[C@](F)(C(=O)NCc2ccc(Cl)cc2Cl)c2cccnc21.
What is the InChIKey of (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The InChIKey is XLTVPFYTCXSNLE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H15Cl2FN2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(19)9-15(12)20/h2-5,8-9H,1,6-7,10H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide has a molecular weight of 365.24 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide is sourced from PubChem (CID 155433742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).