4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine

C26H31N3O4 — CID 144689103

IUPAC4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(OC3=CC4C=C(C)NC4C=C3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H31N3O4/c1-18-14-19-15-20(4-5-22(19)28-18)33-24-6-7-27-23-17-26(25(30-2)16-21(23)24)32-11-3-8-29-9-12-31-13-10-29/h4-7,14-17,19,22,28H,3,8-13H2,1-2H3
InChIKeyYPODQYVRQJSODN-UHFFFAOYSA-N
MW449.55 g/mol
LogP3.67
Rot. Bonds8

About 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine

4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine (PubChem CID 144689103) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine.

Molecular Properties

Compound Name4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
PubChem CID144689103
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC Name4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine
SMILESCOc1cc2c(OC3=CC4C=C(C)NC4C=C3)ccnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C26H31N3O4/c1-18-14-19-15-20(4-5-22(19)28-18)33-24-6-7-27-23-17-26(25(30-2)16-21(23)24)32-11-3-8-29-9-12-31-13-10-29/h4-7,14-17,19,22,28H,3,8-13H2,1-2H3
InChIKeyYPODQYVRQJSODN-UHFFFAOYSA-N
XLogP3.67
TPSA65.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 123411897
4-[3-[4-(3-fluorophenoxy)-6-methoxyquinolin-7-yl]oxypropyl]morpholine
CID 141064103
2-fluoro-3-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-6-methylphenol
CID 54167934
sodium 2-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]ethanolate
CID 141269409
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-methylphenyl)urea
CID 141472646
1-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(4-propan-2-ylphenyl)urea
CID 141472643
2-benzyl-5-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyrimidin-6-one
CID 24864512
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrate
CID 53385812
trans-(1S,2R)-1-N'-[3-fluoro-5-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)-2-methylcyclopropane-1,1-dicarboxamide
CID 130421936
ethane;4-[2-[6-methoxy-4-[(2E)-penta-2,4-dien-2-yl]oxyquinolin-7-yl]oxyethyl]morpholine
CID 142235172
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
2-(4-fluorophenyl)-1-[1-[2-[4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-2-methylphenyl]acetyl]cyclopropyl]ethanone
CID 58065231

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine?
The IUPAC name of 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine (CID 144689103) is 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine.
What is the SMILES notation for 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine?
The canonical SMILES for 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine is COc1cc2c(OC3=CC4C=C(C)NC4C=C3)ccnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine?
The InChIKey is YPODQYVRQJSODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-18-14-19-15-20(4-5-22(19)28-18)33-24-6-7-27-23-17-26(25(30-2)16-21(23)24)32-11-3-8-29-9-12-31-13-10-29/h4-7,14-17,19,22,28H,3,8-13H2,1-2H3.
What are the key properties of 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine?
4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine has a molecular weight of 449.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-methoxy-4-[(2-methyl-3a,7a-dihydro-1H-indol-5-yl)oxy]quinolin-7-yl]oxypropyl]morpholine is sourced from PubChem (CID 144689103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).