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

C18H15ClF2N2O — CID 155433580

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
SMILESC=C1CCC(F)(C(=O)NCc2ccc(F)cc2Cl)c2cccnc21
InChIInChI=1S/C18H15ClF2N2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(20)9-15(12)19/h2-5,8-9H,1,6-7,10H2,(H,23,24)
InChIKeyINMDVWCJZSZXLB-UHFFFAOYSA-N
MW348.78 g/mol
LogP4.16
Rot. Bonds3

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

N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide (PubChem CID 155433580) has the molecular formula C18H15ClF2N2O and a molecular weight of 348.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
PubChem CID155433580
Molecular FormulaC18H15ClF2N2O
Molecular Weight348.78 g/mol
Exact Mass348.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
SMILESC=C1CCC(F)(C(=O)NCc2ccc(F)cc2Cl)c2cccnc21
InChIInChI=1S/C18H15ClF2N2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(20)9-15(12)19/h2-5,8-9H,1,6-7,10H2,(H,23,24)
InChIKeyINMDVWCJZSZXLB-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide
CID 155433742
(5S)-N-[(2,4-dichlorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 142429476
(5S,8R)-N-[(2-chloro-4-fluorophenyl)methyl]-8-ethyl-5-fluoro-8-hydroxy-6,7-dihydroquinoline-5-carboxamide
CID 155454258
(5S)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 151010120
(5S,8S)-N-[(2-chloro-5-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429449
N-[(2-chloro-3-fluorophenyl)methyl]-5-fluoro-8-oxo-6,7-dihydroquinoline-5-carboxamide
CID 155433596
(5S,8S)-N-[(2,4-difluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 135330653
(5R,8S)-N-[(2,4-dichlorophenyl)methyl]-5-fluorospiro[6,7-dihydroquinoline-8,2'-oxirane]-5-carboxamide
CID 155454214
N-[(2-chloro-4-methylphenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 156663756
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
(5R,8R)-N-[(4-chloro-2-fluorophenyl)methyl]-5-fluoro-8-hydroxy-7,8-dihydro-6H-quinoline-5-carboxamide
CID 142429405

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide (CID 155433580) is N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide is C=C1CCC(F)(C(=O)NCc2ccc(F)cc2Cl)c2cccnc21.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
The InChIKey is INMDVWCJZSZXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O/c1-11-6-7-18(21,14-3-2-8-22-16(11)14)17(24)23-10-12-4-5-13(20)9-15(12)19/h2-5,8-9H,1,6-7,10H2,(H,23,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide has a molecular weight of 348.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-8-methylidene-6,7-dihydroquinoline-5-carboxamide is sourced from PubChem (CID 155433580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).