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

C21H22ClFN2O3 — CID 2937616

IUPAC4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H22ClFN2O3/c1-12-17(21(27)25-8-10-28-11-9-25)20(18-13(22)4-2-5-14(18)23)19-15(24-12)6-3-7-16(19)26/h2,4-5,20,24H,3,6-11H2,1H3
InChIKeyBHQJPCODQMBNIM-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.31
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 2937616) has the molecular formula C21H22ClFN2O3 and a molecular weight of 404.87 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID2937616
Molecular FormulaC21H22ClFN2O3
Molecular Weight404.87 g/mol
Exact Mass404.13
IUPAC Name4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESCC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C21H22ClFN2O3/c1-12-17(21(27)25-8-10-28-11-9-25)20(18-13(22)4-2-5-14(18)23)19-15(24-12)6-3-7-16(19)26/h2,4-5,20,24H,3,6-11H2,1H3
InChIKeyBHQJPCODQMBNIM-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 2937616) is 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is CC1=C(C(=O)N2CCOCC2)C(c2c(F)cccc2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is BHQJPCODQMBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O3/c1-12-17(21(27)25-8-10-28-11-9-25)20(18-13(22)4-2-5-14(18)23)19-15(24-12)6-3-7-16(19)26/h2,4-5,20,24H,3,6-11H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 404.87 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 2937616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).