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

C24H26ClN5O3 — CID 5330186

IUPACN-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26ClN5O3/c1-31-21-12-17-20(13-22(21)33-9-3-6-30-7-10-32-11-8-30)27-15-28-24(17)29-19-5-2-4-16-18(25)14-26-23(16)19/h2,4-5,12-15,26H,3,6-11H2,1H3,(H,27,28,29)
InChIKeyYJBXXVZEYNUBTM-UHFFFAOYSA-N
MW467.96 g/mol
LogP4.62
Rot. Bonds8

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

N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330186) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330186
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC NameN-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26ClN5O3/c1-31-21-12-17-20(13-22(21)33-9-3-6-30-7-10-32-11-8-30)27-15-28-24(17)29-19-5-2-4-16-18(25)14-26-23(16)19/h2,4-5,12-15,26H,3,6-11H2,1H3,(H,27,28,29)
InChIKeyYJBXXVZEYNUBTM-UHFFFAOYSA-N
XLogP4.62
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330186) is N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4c(Cl)c[nH]c34)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is YJBXXVZEYNUBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-31-21-12-17-20(13-22(21)33-9-3-6-30-7-10-32-11-8-30)27-15-28-24(17)29-19-5-2-4-16-18(25)14-26-23(16)19/h2,4-5,12-15,26H,3,6-11H2,1H3,(H,27,28,29).
What are the key properties of N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 467.96 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).