2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide

C22H21F3N2O2 — CID 55670463

IUPAC2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C22H21F3N2O2/c1-13-10-18(13)20(28)26-17-6-2-4-15(12-17)21(29)27-9-3-5-14-11-16(22(23,24)25)7-8-19(14)27/h2,4,6-8,11-13,18H,3,5,9-10H2,1H3,(H,26,28)
InChIKeyUMKKFQAFLQCINC-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.89
Rot. Bonds3

About 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 55670463) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
PubChem CID55670463
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C22H21F3N2O2/c1-13-10-18(13)20(28)26-17-6-2-4-15(12-17)21(29)27-9-3-5-14-11-16(22(23,24)25)7-8-19(14)27/h2,4,6-8,11-13,18H,3,5,9-10H2,1H3,(H,26,28)
InChIKeyUMKKFQAFLQCINC-UHFFFAOYSA-N
XLogP4.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
N-propan-2-yl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31845243
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
N-methoxy-N-methyl-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 31843707
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-methyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 42896639
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
N-[3-(6-chloro-2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 55669572
1-benzoyl-N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247827
4-fluoro-N-[1-[1-[3-(trifluoromethyl)benzoyl]-3,4-dihydro-2H-quinolin-6-yl]ethyl]benzamide
CID 159659623

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide (CID 55670463) is 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is UMKKFQAFLQCINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-13-10-18(13)20(28)26-17-6-2-4-15(12-17)21(29)27-9-3-5-14-11-16(22(23,24)25)7-8-19(14)27/h2,4,6-8,11-13,18H,3,5,9-10H2,1H3,(H,26,28).
What are the key properties of 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55670463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).