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

C24H27N5O3 — CID 5330185

IUPACN-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H27N5O3/c1-30-21-14-18-20(15-22(21)32-11-3-8-29-9-12-31-13-10-29)26-16-27-24(18)28-19-5-2-4-17-6-7-25-23(17)19/h2,4-7,14-16,25H,3,8-13H2,1H3,(H,26,27,28)
InChIKeyWSCNRBSYBHOKKX-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.96
Rot. Bonds8

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

N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330185) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330185
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H27N5O3/c1-30-21-14-18-20(15-22(21)32-11-3-8-29-9-12-31-13-10-29)26-16-27-24(18)28-19-5-2-4-17-6-7-25-23(17)19/h2,4-7,14-16,25H,3,8-13H2,1H3,(H,26,27,28)
InChIKeyWSCNRBSYBHOKKX-UHFFFAOYSA-N
XLogP3.96
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330185) is N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4cc[nH]c34)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is WSCNRBSYBHOKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-30-21-14-18-20(15-22(21)32-11-3-8-29-9-12-31-13-10-29)26-16-27-24(18)28-19-5-2-4-17-6-7-25-23(17)19/h2,4-7,14-16,25H,3,8-13H2,1H3,(H,26,27,28).
What are the key properties of N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 433.51 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).