N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide

C24H17F3N4O2 — CID 16746134

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnnc2ccccc12
InChIInChI=1S/C24H17F3N4O2/c1-14-9-10-15(22(32)29-17-6-4-5-16(12-17)24(25,26)27)11-21(14)30-23(33)19-13-28-31-20-8-3-2-7-18(19)20/h2-13H,1H3,(H,29,32)(H,30,33)
InChIKeyOQTFRMPMMJGYEC-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.46
Rot. Bonds4

About N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide

N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide (PubChem CID 16746134) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide
PubChem CID16746134
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnnc2ccccc12
InChIInChI=1S/C24H17F3N4O2/c1-14-9-10-15(22(32)29-17-6-4-5-16(12-17)24(25,26)27)11-21(14)30-23(33)19-13-28-31-20-8-3-2-7-18(19)20/h2-13H,1H3,(H,29,32)(H,30,33)
InChIKeyOQTFRMPMMJGYEC-UHFFFAOYSA-N
XLogP5.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Phenylamino)-7-(4-(trifluoromethyl)phenyl)quinoline-3-carboxamide
CID 44444482
N-[(2S)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]cinnoline-4-carboxamide
CID 155510433
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(trifluoromethyl)phenyl]indazole-4-carboxamide
CID 155560875
2-amino-5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 129064997
3-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]cinnoline-4-carboxamide
CID 16024986
N-(4-fluorophenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 16024966
N-(2-fluorophenyl)-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 16024996
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]pyridazine-4-carboxamide
CID 16746041
N-(2-methyl-5-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)cinnoline-4-carboxamide 2,2,2-trifluoroacetate
CID 46902921
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]cinnoline-4-carboxamide
CID 164609869
N-phenyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 175308752
N-[6-(2-aminoanilino)-6-oxohexyl]cinnoline-4-carboxamide
CID 45137895

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide (CID 16746134) is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnnc2ccccc12.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide?
The InChIKey is OQTFRMPMMJGYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c1-14-9-10-15(22(32)29-17-6-4-5-16(12-17)24(25,26)27)11-21(14)30-23(33)19-13-28-31-20-8-3-2-7-18(19)20/h2-13H,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cinnoline-4-carboxamide is sourced from PubChem (CID 16746134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).