6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C25H29N5O3 — CID 5330184

IUPAC6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3ccn4C)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-29-9-7-18-20(5-3-6-22(18)29)28-25-19-15-23(31-2)24(16-21(19)26-17-27-25)33-12-4-8-30-10-13-32-14-11-30/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H,26,27,28)
InChIKeyPIDIUJOXHKWXAQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.97
Rot. Bonds8

About 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330184) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330184
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3ccn4C)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C25H29N5O3/c1-29-9-7-18-20(5-3-6-22(18)29)28-25-19-15-23(31-2)24(16-21(19)26-17-27-25)33-12-4-8-30-10-13-32-14-11-30/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H,26,27,28)
InChIKeyPIDIUJOXHKWXAQ-UHFFFAOYSA-N
XLogP3.97
TPSA73.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330184) is 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4c3ccn4C)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is PIDIUJOXHKWXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29-9-7-18-20(5-3-6-22(18)29)28-25-19-15-23(31-2)24(16-21(19)26-17-27-25)33-12-4-8-30-10-13-32-14-11-30/h3,5-7,9,15-17H,4,8,10-14H2,1-2H3,(H,26,27,28).
What are the key properties of 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 447.54 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methylindol-4-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).