6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

C24H30N2O5 — CID 171389319

IUPAC6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(OCCCN3CCOCC3)c1)CC(=O)N2
InChIInChI=1S/C24H30N2O5/c1-28-22-14-20-19(15-24(27)25-21(20)16-23(22)29-2)17-5-3-6-18(13-17)31-10-4-7-26-8-11-30-12-9-26/h3,5-6,13-14,16,19H,4,7-12,15H2,1-2H3,(H,25,27)
InChIKeyASAREBQPORDOJV-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.28
Rot. Bonds8

About 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one

6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171389319) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID171389319
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(OCCCN3CCOCC3)c1)CC(=O)N2
InChIInChI=1S/C24H30N2O5/c1-28-22-14-20-19(15-24(27)25-21(20)16-23(22)29-2)17-5-3-6-18(13-17)31-10-4-7-26-8-11-30-12-9-26/h3,5-6,13-14,16,19H,4,7-12,15H2,1-2H3,(H,25,27)
InChIKeyASAREBQPORDOJV-UHFFFAOYSA-N
XLogP3.28
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 171387375
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
6,7-dimethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2939263
4-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3158483
(4S)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 973945
(4R)-7-(dimethylamino)-4-[3-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 95127758
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[4-(dimethylamino)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2964923
(4S)-6,7-dimethyl-4-(3-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 40645363
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
4-(2,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 3610231

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one (CID 171389319) is 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is COc1cc2c(cc1OC)C(c1cccc(OCCCN3CCOCC3)c1)CC(=O)N2.
What is the InChIKey of 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ASAREBQPORDOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-28-22-14-20-19(15-24(27)25-21(20)16-23(22)29-2)17-5-3-6-18(13-17)31-10-4-7-26-8-11-30-12-9-26/h3,5-6,13-14,16,19H,4,7-12,15H2,1-2H3,(H,25,27).
What are the key properties of 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one?
6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 426.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-[3-(3-morpholin-4-ylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171389319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).