2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one

C20H21ClN2O2 — CID 118143611

IUPAC2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one
SMILESCC1(c2ccc(N3CCOCC3)cc2)CCc2nc(Cl)ccc2C1=O
InChIInChI=1S/C20H21ClN2O2/c1-20(9-8-17-16(19(20)24)6-7-18(21)22-17)14-2-4-15(5-3-14)23-10-12-25-13-11-23/h2-7H,8-13H2,1H3
InChIKeyHWGPWCRPEXSNAR-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one

2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one (PubChem CID 118143611) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one
PubChem CID118143611
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one
SMILESCC1(c2ccc(N3CCOCC3)cc2)CCc2nc(Cl)ccc2C1=O
InChIInChI=1S/C20H21ClN2O2/c1-20(9-8-17-16(19(20)24)6-7-18(21)22-17)14-2-4-15(5-3-14)23-10-12-25-13-11-23/h2-7H,8-13H2,1H3
InChIKeyHWGPWCRPEXSNAR-UHFFFAOYSA-N
XLogP3.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one (CID 118143611) is 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one is CC1(c2ccc(N3CCOCC3)cc2)CCc2nc(Cl)ccc2C1=O.
What is the InChIKey of 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one?
The InChIKey is HWGPWCRPEXSNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-20(9-8-17-16(19(20)24)6-7-18(21)22-17)14-2-4-15(5-3-14)23-10-12-25-13-11-23/h2-7H,8-13H2,1H3.
What are the key properties of 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one?
2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one has a molecular weight of 356.85 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-6-(4-morpholin-4-ylphenyl)-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 118143611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).