N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C24H25ClN4O4 — CID 5330178

IUPACN-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H25ClN4O4/c1-30-21-13-17-19(14-22(21)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-23-16-5-10-33-20(16)4-3-18(23)25/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28)
InChIKeyDYYRSMHBLLWJOD-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.88
Rot. Bonds8

About N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330178) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330178
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC NameN-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H25ClN4O4/c1-30-21-13-17-19(14-22(21)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-23-16-5-10-33-20(16)4-3-18(23)25/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28)
InChIKeyDYYRSMHBLLWJOD-UHFFFAOYSA-N
XLogP4.88
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.88
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 N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330178) is N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3c(Cl)ccc4occc34)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is DYYRSMHBLLWJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-30-21-13-17-19(14-22(21)32-9-2-6-29-7-11-31-12-8-29)26-15-27-24(17)28-23-16-5-10-33-20(16)4-3-18(23)25/h3-5,10,13-15H,2,6-9,11-12H2,1H3,(H,26,27,28).
What are the key properties of N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 468.94 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).