2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid

C19H23F3N2O2 — CID 46926555

IUPAC2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(N3CCCCCC3)cc(C)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2.C2HF3O2/c1-13-7-8-16-15(11-13)14(2)12-17(18-16)19-9-5-3-4-6-10-19;3-2(4,5)1(6)7/h7-8,11-12H,3-6,9-10H2,1-2H3;(H,6,7)
InChIKeyRFPBANLPBMRWOM-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.87
Rot. Bonds1

About 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid

2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid (PubChem CID 46926555) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid
PubChem CID46926555
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(N3CCCCCC3)cc(C)c2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N2.C2HF3O2/c1-13-7-8-16-15(11-13)14(2)12-17(18-16)19-9-5-3-4-6-10-19;3-2(4,5)1(6)7/h7-8,11-12H,3-6,9-10H2,1-2H3;(H,6,7)
InChIKeyRFPBANLPBMRWOM-UHFFFAOYSA-N
XLogP4.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
N,N-diethyl-4-methylquinolin-2-amine
CID 685004
2-(4-Cyclopropyl-piperazin-1-yl)-6-trifluoromethyl-quinoline
CID 11486222
N2,N2,3-trimethylquinoline-2,4-diamine oxalate
CID 657626
2-(1-Pyrrolidinyl)-3-[3-(trifluoromethyl)phenyl]quinoline
CID 3784173
2-(Azepan-1-yl)-4-methylquinoline;oxalic acid
CID 11957129
1,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-amine oxalate
CID 24747591
2,2'-({3-[(6-Ethyl-4-methylquinolin-2-yl)amino]propyl}imino)diethanol
CID 46988044
(3R,4R)-1-quinolin-2-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine;2,2,2-trifluoroacetic acid
CID 49797236
4,8-Dimethyl-2-piperidinoquinoline
CID 1477209
4,8-Dimethyl-2-(1-pyrrolidinyl)quinoline
CID 3741252
2-(1-Azepanyl)-6-fluoro-4-methylquinoline
CID 871946

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid (CID 46926555) is 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid is Cc1ccc2nc(N3CCCCCC3)cc(C)c2c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid?
The InChIKey is RFPBANLPBMRWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2.C2HF3O2/c1-13-7-8-16-15(11-13)14(2)12-17(18-16)19-9-5-3-4-6-10-19;3-2(4,5)1(6)7/h7-8,11-12H,3-6,9-10H2,1-2H3;(H,6,7).
What are the key properties of 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid?
2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid has a molecular weight of 368.40 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-4,6-dimethylquinoline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46926555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).