N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C24H28N4O4 — CID 5330181

IUPACN-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3OCC4)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H28N4O4/c1-29-21-14-18-20(15-22(21)31-10-3-7-28-8-12-30-13-9-28)25-16-26-24(18)27-19-5-2-4-17-6-11-32-23(17)19/h2,4-5,14-16H,3,6-13H2,1H3,(H,25,26,27)
InChIKeyKYNOZIAMNFYFPB-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.42
Rot. Bonds8

About N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330181) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330181
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4c3OCC4)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H28N4O4/c1-29-21-14-18-20(15-22(21)31-10-3-7-28-8-12-30-13-9-28)25-16-26-24(18)27-19-5-2-4-17-6-11-32-23(17)19/h2,4-5,14-16H,3,6-13H2,1H3,(H,25,26,27)
InChIKeyKYNOZIAMNFYFPB-UHFFFAOYSA-N
XLogP3.42
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.42
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-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330181) is N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4c3OCC4)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is KYNOZIAMNFYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-29-21-14-18-20(15-22(21)31-10-3-7-28-8-12-30-13-9-28)25-16-26-24(18)27-19-5-2-4-17-6-11-32-23(17)19/h2,4-5,14-16H,3,6-13H2,1H3,(H,25,26,27).
What are the key properties of N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 436.51 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).