4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

C24H28N4O3 — CID 91423965

IUPAC4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(ON3CCc4ccccc43)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H28N4O3/c1-29-22-15-19-20(16-23(22)30-14-6-12-27-10-4-5-11-27)25-17-26-24(19)31-28-13-9-18-7-2-3-8-21(18)28/h2-3,7-8,15-17H,4-6,9-14H2,1H3
InChIKeyAUYNBYSCGCCORQ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.86
Rot. Bonds8

About 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline (PubChem CID 91423965) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
PubChem CID91423965
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(ON3CCc4ccccc43)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H28N4O3/c1-29-22-15-19-20(16-23(22)30-14-6-12-27-10-4-5-11-27)25-17-26-24(19)31-28-13-9-18-7-2-3-8-21(18)28/h2-3,7-8,15-17H,4-6,9-14H2,1H3
InChIKeyAUYNBYSCGCCORQ-UHFFFAOYSA-N
XLogP3.86
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449
6-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]oxynaphthalene-1-carboxylic acid
CID 67520430
6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]-7-(3-piperidin-1-ylpropoxy)quinazoline
CID 22030540
6-methoxy-7-(3-piperidin-1-ylpropoxy)-4-[[6-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030800
4-[(6-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22030798
6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-[[2-(trifluoromethyl)-1H-indol-5-yl]oxy]quinazoline
CID 22030572
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
4-(2-fluorophenoxy)-6-methoxy-7-(3-piperidin-1-ylpropoxy)quinoline
CID 141064108

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The IUPAC name of 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline (CID 91423965) is 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline is COc1cc2c(ON3CCc4ccccc43)ncnc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The InChIKey is AUYNBYSCGCCORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-29-22-15-19-20(16-23(22)30-14-6-12-27-10-4-5-11-27)25-17-26-24(19)31-28-13-9-18-7-2-3-8-21(18)28/h2-3,7-8,15-17H,4-6,9-14H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline has a molecular weight of 420.51 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 91423965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).