(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one

C18H14F6N2O2 — CID 177164742

IUPAC(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one
SMILESN[C@@H]1Cc2ccc(C(F)F)cc2N(Cc2cc(OC(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C18H14F6N2O2/c19-13-4-3-12(28-18(22,23)24)5-11(13)8-26-15-7-10(16(20)21)2-1-9(15)6-14(25)17(26)27/h1-5,7,14,16H,6,8,25H2/t14-/m1/s1
InChIKeyYVTTZTOAYFHLFT-CQSZACIVSA-N
MW404.31 g/mol
LogP4.08
Rot. Bonds4

About (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one

(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 177164742) has the molecular formula C18H14F6N2O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID177164742
Molecular FormulaC18H14F6N2O2
Molecular Weight404.31 g/mol
Exact Mass404.10
IUPAC Name(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one
SMILESN[C@@H]1Cc2ccc(C(F)F)cc2N(Cc2cc(OC(F)(F)F)ccc2F)C1=O
InChIInChI=1S/C18H14F6N2O2/c19-13-4-3-12(28-18(22,23)24)5-11(13)8-26-15-7-10(16(20)21)2-1-9(15)6-14(25)17(26)27/h1-5,7,14,16H,6,8,25H2/t14-/m1/s1
InChIKeyYVTTZTOAYFHLFT-CQSZACIVSA-N
XLogP4.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-[3-(2-fluorophenyl)propanoyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816857
N-[(1-benzyl-6-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188233
6-[3-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 86342357
N-isobutyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738632
N-cyclopropyl-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738634
N-(phenylmethyl)-8-(trifluoromethoxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738638
N-(2-fluoranylethyl)-8-(trifluoromethyloxy)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxamide
CID 16738640
1-[3-(3-fluorophenyl)propanoyl]-N-(4-methoxyphenyl)-3-piperidinamine
CID 24817163
(S)-1-(4-(2-(1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 44415347
1-(4-(2-((S)-1-amino-3-methylbutyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(3-methoxyphenyl)-2-methylpropan-1-one
CID 44416006
1'-[[4-(Trifluoromethoxy)phenyl]methyl]spiro[1,4-dihydroquinoline-3,2'-azetidine]-2-one
CID 134792732
N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24697401

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one (CID 177164742) is (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one is N[C@@H]1Cc2ccc(C(F)F)cc2N(Cc2cc(OC(F)(F)F)ccc2F)C1=O.
What is the InChIKey of (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is YVTTZTOAYFHLFT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H14F6N2O2/c19-13-4-3-12(28-18(22,23)24)5-11(13)8-26-15-7-10(16(20)21)2-1-9(15)6-14(25)17(26)27/h1-5,7,14,16H,6,8,25H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one?
(3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 404.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-7-(difluoromethyl)-1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 177164742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).