N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

C20H18F3N3O — CID 164852738

IUPACN-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCC(C)NC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C20H18F3N3O/c1-12(2)25-19(27)13-4-3-5-15(10-13)26-17-8-9-24-18-11-14(20(21,22)23)6-7-16(17)18/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQCXAZVKHNDLRFI-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.14
Rot. Bonds4

About N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (PubChem CID 164852738) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
PubChem CID164852738
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCC(C)NC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1
InChIInChI=1S/C20H18F3N3O/c1-12(2)25-19(27)13-4-3-5-15(10-13)26-17-8-9-24-18-11-14(20(21,22)23)6-7-16(17)18/h3-12H,1-2H3,(H,24,26)(H,25,27)
InChIKeyQCXAZVKHNDLRFI-UHFFFAOYSA-N
XLogP5.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
3-[4-(3-methylphenyl)piperazin-1-yl]-N-[7-(trifluoromethyl)quinolin-4-yl]benzamide
CID 164852755
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
3-[[6-chloro-7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 66487385
6,7-diethoxy-N-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 50877956
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The IUPAC name of N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (CID 164852738) is N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is CC(C)NC(=O)c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1.
What is the InChIKey of N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The InChIKey is QCXAZVKHNDLRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12(2)25-19(27)13-4-3-5-15(10-13)26-17-8-9-24-18-11-14(20(21,22)23)6-7-16(17)18/h3-12H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide has a molecular weight of 373.38 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 164852738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).