4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one

C21H23ClN2O3 — CID 5140144

IUPAC4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
SMILESC=C1NC2=C(C(=O)CCC2)C(c2cccc(Cl)c2)C1C(=O)N1CCOCC1
InChIInChI=1S/C21H23ClN2O3/c1-13-18(21(26)24-8-10-27-11-9-24)19(14-4-2-5-15(22)12-14)20-16(23-13)6-3-7-17(20)25/h2,4-5,12,18-19,23H,1,3,6-11H2
InChIKeyKYTHHLKNNWNCAS-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.02
Rot. Bonds2

About 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one

4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one (PubChem CID 5140144) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
PubChem CID5140144
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
SMILESC=C1NC2=C(C(=O)CCC2)C(c2cccc(Cl)c2)C1C(=O)N1CCOCC1
InChIInChI=1S/C21H23ClN2O3/c1-13-18(21(26)24-8-10-27-11-9-24)19(14-4-2-5-15(22)12-14)20-16(23-13)6-3-7-17(20)25/h2,4-5,12,18-19,23H,1,3,6-11H2
InChIKeyKYTHHLKNNWNCAS-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-(3-chlorophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4073933
4-(3-hydroxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
CID 4052179
(4S)-4-(3-chlorophenyl)-2-methyl-3-(morpholine-4-carbonyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 1094504
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
4-(4-ethoxy-3-methoxyphenyl)-2-methylidene-3-(piperidine-1-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one
CID 4102067
ethyl 4-(3-iodophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3627478
(4R)-4-(3-chlorophenyl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 27878182
cyclohexyl 4-(4-chlorophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5082562
(4S)-4-(3-chlorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135899877
(4R)-4-(3-hydroxyphenyl)-2-methyl-3-(piperidine-1-carbonyl)-4,6,7,8-tetrahydro-3H-quinolin-5-one
CID 6965989
3-(3-chlorophenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110656867
2-methylpropyl 4-(3,4-difluorophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3453679

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The IUPAC name of 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one (CID 5140144) is 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The canonical SMILES for 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one is C=C1NC2=C(C(=O)CCC2)C(c2cccc(Cl)c2)C1C(=O)N1CCOCC1.
What is the InChIKey of 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
The InChIKey is KYTHHLKNNWNCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-13-18(21(26)24-8-10-27-11-9-24)19(14-4-2-5-15(22)12-14)20-16(23-13)6-3-7-17(20)25/h2,4-5,12,18-19,23H,1,3,6-11H2.
What are the key properties of 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one?
4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one has a molecular weight of 386.88 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methylidene-3-(morpholine-4-carbonyl)-1,3,4,6,7,8-hexahydroquinolin-5-one is sourced from PubChem (CID 5140144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).