4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine

C24H27ClN2O4 — CID 162666117

IUPAC4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(OCCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C24H27ClN2O4/c1-28-23-14-19-21(16-24(23)29-2)26-20(17-4-6-18(25)7-5-17)15-22(19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3
InChIKeyLWPXZNSHSPSWPW-UHFFFAOYSA-N
MW442.94 g/mol
LogP4.67
Rot. Bonds8

About 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine

4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine (PubChem CID 162666117) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
PubChem CID162666117
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)cc(OCCCN3CCOCC3)c2cc1OC
InChIInChI=1S/C24H27ClN2O4/c1-28-23-14-19-21(16-24(23)29-2)26-20(17-4-6-18(25)7-5-17)15-22(19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3
InChIKeyLWPXZNSHSPSWPW-UHFFFAOYSA-N
XLogP4.67
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
1-[3-[6,7-dimethoxy-2-[4-(trifluoromethyl)phenyl]quinolin-4-yl]oxypropyl]piperidin-4-ol
CID 162669640
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
1-[3-[2-(furan-2-yl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]piperidin-4-ol
CID 162651802
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-propylquinazolin-4-amine
CID 171345695
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine (CID 162666117) is 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine is COc1cc2nc(-c3ccc(Cl)cc3)cc(OCCCN3CCOCC3)c2cc1OC.
What is the InChIKey of 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine?
The InChIKey is LWPXZNSHSPSWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-28-23-14-19-21(16-24(23)29-2)26-20(17-4-6-18(25)7-5-17)15-22(19)31-11-3-8-27-9-12-30-13-10-27/h4-7,14-16H,3,8-13H2,1-2H3.
What are the key properties of 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine?
4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine has a molecular weight of 442.94 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-chlorophenyl)-6,7-dimethoxyquinolin-4-yl]oxypropyl]morpholine is sourced from PubChem (CID 162666117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).