4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one

C21H23FN2O3 — CID 2943492

IUPAC4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H23FN2O3/c1-13-18(21(26)24-9-11-27-12-10-24)19(14-5-2-3-6-15(14)22)20-16(23-13)7-4-8-17(20)25/h2-3,5-6,19,23H,4,7-12H2,1H3
InChIKeyMWOGACTWAPHDQR-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.65
Rot. Bonds2

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

4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 2943492) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID2943492
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H23FN2O3/c1-13-18(21(26)24-9-11-27-12-10-24)19(14-5-2-3-6-15(14)22)20-16(23-13)7-4-8-17(20)25/h2-3,5-6,19,23H,4,7-12H2,1H3
InChIKeyMWOGACTWAPHDQR-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 2943492) is 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is MWOGACTWAPHDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13-18(21(26)24-9-11-27-12-10-24)19(14-5-2-3-6-15(14)22)20-16(23-13)7-4-8-17(20)25/h2-3,5-6,19,23H,4,7-12H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 370.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 2943492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).