4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

C24H26N4O3 — CID 22030940

IUPAC4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H26N4O3/c1-29-22-14-19-21(15-23(22)30-12-4-11-28-9-2-3-10-28)26-16-27-24(19)31-18-6-5-17-7-8-25-20(17)13-18/h5-8,13-16,25H,2-4,9-12H2,1H3
InChIKeyANLLVFQPJWHNNW-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.78
Rot. Bonds8

About 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline

4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline (PubChem CID 22030940) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline.

Molecular Properties

Compound Name4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
PubChem CID22030940
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
SMILESCOc1cc2c(Oc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCCC1
InChIInChI=1S/C24H26N4O3/c1-29-22-14-19-21(15-23(22)30-12-4-11-28-9-2-3-10-28)26-16-27-24(19)31-18-6-5-17-7-8-25-20(17)13-18/h5-8,13-16,25H,2-4,9-12H2,1H3
InChIKeyANLLVFQPJWHNNW-UHFFFAOYSA-N
XLogP4.78
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The IUPAC name of 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline (CID 22030940) is 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline.
What is the SMILES notation for 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The canonical SMILES for 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline is COc1cc2c(Oc3ccc4cc[nH]c4c3)ncnc2cc1OCCCN1CCCC1.
What is the InChIKey of 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
The InChIKey is ANLLVFQPJWHNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-22-14-19-21(15-23(22)30-12-4-11-28-9-2-3-10-28)26-16-27-24(19)31-18-6-5-17-7-8-25-20(17)13-18/h5-8,13-16,25H,2-4,9-12H2,1H3.
What are the key properties of 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline?
4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline has a molecular weight of 418.50 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline is sourced from PubChem (CID 22030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).