4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid

C18H19F3N2O2 — CID 164580415

IUPAC4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-6-14-15(7-8-22-16(14)9-13)23-10-11-1-3-12(4-2-11)17(24)25/h5-9,11-12H,1-4,10H2,(H,22,23)(H,24,25)
InChIKeyLHBSTHXNMQVCNS-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.56
Rot. Bonds4

About 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid

4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 164580415) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID164580415
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-6-14-15(7-8-22-16(14)9-13)23-10-11-1-3-12(4-2-11)17(24)25/h5-9,11-12H,1-4,10H2,(H,22,23)(H,24,25)
InChIKeyLHBSTHXNMQVCNS-UHFFFAOYSA-N
XLogP4.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
CID 164580422
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
CID 175287521
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
[1-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400585
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133402360
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854

Frequently Asked Questions

What is the IUPAC name of 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid (CID 164580415) is 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(CNc2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is LHBSTHXNMQVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)13-5-6-14-15(7-8-22-16(14)9-13)23-10-11-1-3-12(4-2-11)17(24)25/h5-9,11-12H,1-4,10H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 352.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 164580415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).