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

C23H26ClFN2O3 — CID 4099237

IUPAC4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
SMILESC=C1NC2=C(C(=O)CC(C)(C)C2)C(c2c(F)cccc2Cl)C1C(=O)N1CCOCC1
InChIInChI=1S/C23H26ClFN2O3/c1-13-18(22(29)27-7-9-30-10-8-27)21(19-14(24)5-4-6-15(19)25)20-16(26-13)11-23(2,3)12-17(20)28/h4-6,18,21,26H,1,7-12H2,2-3H3
InChIKeyRXPGXHNOWDUTCG-UHFFFAOYSA-N
MW432.92 g/mol
LogP3.80
Rot. Bonds2

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

4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one (PubChem CID 4099237) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
PubChem CID4099237
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
SMILESC=C1NC2=C(C(=O)CC(C)(C)C2)C(c2c(F)cccc2Cl)C1C(=O)N1CCOCC1
InChIInChI=1S/C23H26ClFN2O3/c1-13-18(22(29)27-7-9-30-10-8-27)21(19-14(24)5-4-6-15(19)25)20-16(26-13)11-23(2,3)12-17(20)28/h4-6,18,21,26H,1,7-12H2,2-3H3
InChIKeyRXPGXHNOWDUTCG-UHFFFAOYSA-N
XLogP3.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one with MolForge

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Related Compounds

4-(3-hydroxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
CID 4052179
4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
CID 5140144
methyl 4-(2-chlorophenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate
CID 5048838
5-acetyl-6-(2-chloro-6-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
CID 2879275
(9R)-9-(2-chloro-6-fluorophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 945115
4-(2,3-dichlorophenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 4215864
(4R)-4-(2,6-difluorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 7720620
(4R)-4-(2-chlorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-3,4,6,8-tetrahydroquinolin-5-one
CID 7089562
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2377275
(4S)-4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydroquinolin-5-one
CID 7319878
(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7344542
(4S)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7344544

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one (CID 4099237) is 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one is C=C1NC2=C(C(=O)CC(C)(C)C2)C(c2c(F)cccc2Cl)C1C(=O)N1CCOCC1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is RXPGXHNOWDUTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c1-13-18(22(29)27-7-9-30-10-8-27)21(19-14(24)5-4-6-15(19)25)20-16(26-13)11-23(2,3)12-17(20)28/h4-6,18,21,26H,1,7-12H2,2-3H3.
What are the key properties of 4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one?
4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 432.92 g/mol, XLogP of 3.80, 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)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 4099237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).