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

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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).