N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

C19H20F3N3O — CID 169199626

IUPACN-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
SMILESNCCNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cccc2c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-12(5-7-15)16-3-1-2-13-10-14(11-25-17(13)16)18(26)24-9-8-23/h1-4,10-11,15H,5-9,23H2,(H,24,26)
InChIKeyRYKPPNXOAWFXOI-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.67
Rot. Bonds4

About N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide

N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (PubChem CID 169199626) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
PubChem CID169199626
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
SMILESNCCNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cccc2c1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-12(5-7-15)16-3-1-2-13-10-14(11-25-17(13)16)18(26)24-9-8-23/h1-4,10-11,15H,5-9,23H2,(H,24,26)
InChIKeyRYKPPNXOAWFXOI-UHFFFAOYSA-N
XLogP3.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170162645
2-[[8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carbonyl]amino]acetic acid
CID 169199864
tert-butyl N-[2-[[8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carbonyl]amino]ethyl]carbamate
CID 169199613
N-[(2R)-4-aminobutan-2-yl]-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170164620
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199786
methyl 8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxylate
CID 169199976
N-[(2R)-4-amino-4-oxobutan-2-yl]-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170163967
(3R)-3-[[8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carbonyl]amino]butanoic acid
CID 170163441
N-[(2S)-2-hydroxy-2-(1,3-oxazol-2-yl)ethyl]-8-[(4S)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170163701
N-[(1S)-1-pyridin-2-ylethyl]-8-[(4R)-4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 170288189
N-[(2R)-1-aminopropan-2-yl]-5-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 177249254
6-methoxy-N-[2-[(Z)-prop-1-enoxy]prop-2-enyl]-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide
CID 169199917

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide (CID 169199626) is N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is NCCNC(=O)c1cnc2c(C3=CCC(C(F)(F)F)CC3)cccc2c1.
What is the InChIKey of N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
The InChIKey is RYKPPNXOAWFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-6-4-12(5-7-15)16-3-1-2-13-10-14(11-25-17(13)16)18(26)24-9-8-23/h1-4,10-11,15H,5-9,23H2,(H,24,26).
What are the key properties of N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide?
N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-8-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 169199626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).