N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

C25H19F3N2O2 — CID 66914400

IUPACN-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C25H19F3N2O2/c1-30(20-13-6-7-14-21(20)32-2)24(31)18-15-29-23-17(11-8-12-19(23)25(26,27)28)22(18)16-9-4-3-5-10-16/h3-15H,1-2H3
InChIKeyNDGAOGUATZTRBG-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.21
Rot. Bonds4

About N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 66914400) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID66914400
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCOc1ccccc1N(C)C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1
InChIInChI=1S/C25H19F3N2O2/c1-30(20-13-6-7-14-21(20)32-2)24(31)18-15-29-23-17(11-8-12-19(23)25(26,27)28)22(18)16-9-4-3-5-10-16/h3-15H,1-2H3
InChIKeyNDGAOGUATZTRBG-UHFFFAOYSA-N
XLogP6.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914315
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477
(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 66914336
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
N-(3-fluorophenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboximidamide
CID 151835378
3-[(4-methoxyphenoxy)methyl]-4-phenyl-8-(trifluoromethyl)quinoline
CID 66914038
4-(4-chloro-3-methoxyphenyl)-3-phenyl-8-(trifluoromethyl)quinoline
CID 66913406
[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
4-[3-[(2-methoxyphenyl)methoxy]phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 66914261
2-[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylanilino]methyl]phenyl]acetic acid
CID 66914197
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(4-fluorophenyl)thiourea
CID 11353296
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(3-fluorophenyl)urea
CID 66914238

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (CID 66914400) is N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is COc1ccccc1N(C)C(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is NDGAOGUATZTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-30(20-13-6-7-14-21(20)32-2)24(31)18-15-29-23-17(11-8-12-19(23)25(26,27)28)22(18)16-9-4-3-5-10-16/h3-15H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 66914400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).