4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid

C16H17F3N2O3 — CID 46259334

IUPAC4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCOCC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N2O.C2HF3O2/c1-11-10-14(16-6-8-17-9-7-16)15-13-5-3-2-4-12(11)13;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3;(H,6,7)
InChIKeyAWYGHQTWWZTPAL-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.01
Rot. Bonds1

About 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid

4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 46259334) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID46259334
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2CCOCC2)nc2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C14H16N2O.C2HF3O2/c1-11-10-14(16-6-8-17-9-7-16)15-13-5-3-2-4-12(11)13;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3;(H,6,7)
InChIKeyAWYGHQTWWZTPAL-UHFFFAOYSA-N
XLogP3.01
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
(4-Quinolin-2-ylpiperazin-1-yl)acetic Acid
CID 715494
4-Phenanthridin-6-ylmorpholine
CID 823944
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclopropanecarboxamide
CID 16003777
4-Ethyl-3-methyl-2-(4-methylpiperazin-1-yl)quinoline
CID 44304233
8-Methyl-2-morpholinoquinoline-3-carbonitrile
CID 865258
(E)-2-Cyano-3-(2-morpholin-4-yl-quinolin-3-yl)-acrylic acid ethyl ester
CID 921219
2-(2-Morpholin-4-yl-quinolin-3-ylmethylene)-malononitrile
CID 921753
2,6-Dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 5070263
4-Methyl-2-morpholinoquinoline
CID 812365
2-Morpholin-4-yl-quinoline-4-carbonitrile
CID 764701

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid (CID 46259334) is 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid is Cc1cc(N2CCOCC2)nc2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is AWYGHQTWWZTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O.C2HF3O2/c1-11-10-14(16-6-8-17-9-7-16)15-13-5-3-2-4-12(11)13;3-2(4,5)1(6)7/h2-5,10H,6-9H2,1H3;(H,6,7).
What are the key properties of 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid?
4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 342.32 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylquinolin-2-yl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46259334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).