2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one

C22H23F3N2O4 — CID 2943522

IUPAC2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccc(OC(F)(F)F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H23F3N2O4/c1-13-18(21(29)27-9-11-30-12-10-27)19(20-16(26-13)3-2-4-17(20)28)14-5-7-15(8-6-14)31-22(23,24)25/h5-8,19,26H,2-4,9-12H2,1H3
InChIKeyXXDFXNYKLBYLIX-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one

2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 2943522) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID2943522
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC Name2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccc(OC(F)(F)F)cc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H23F3N2O4/c1-13-18(21(29)27-9-11-30-12-10-27)19(20-16(26-13)3-2-4-17(20)28)14-5-7-15(8-6-14)31-22(23,24)25/h5-8,19,26H,2-4,9-12H2,1H3
InChIKeyXXDFXNYKLBYLIX-UHFFFAOYSA-N
XLogP3.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 2943522) is 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=C(C(=O)N2CCOCC2)C(c2ccc(OC(F)(F)F)cc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is XXDFXNYKLBYLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c1-13-18(21(29)27-9-11-30-12-10-27)19(20-16(26-13)3-2-4-17(20)28)14-5-7-15(8-6-14)31-22(23,24)25/h5-8,19,26H,2-4,9-12H2,1H3.
What are the key properties of 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 436.43 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholine-4-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 2943522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).