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

C24H26N4O4 — CID 5330179

IUPACN-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4ccoc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26N4O4/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/h2,4-6,11,14-16H,3,7-10,12-13H2,1H3,(H,25,26,27)
InChIKeyYFRIJEQZCPTEHD-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.23
Rot. Bonds8

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

N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 5330179) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID5330179
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3cccc4ccoc34)ncnc2cc1OCCCN1CCOCC1
InChIInChI=1S/C24H26N4O4/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/h2,4-6,11,14-16H,3,7-10,12-13H2,1H3,(H,25,26,27)
InChIKeyYFRIJEQZCPTEHD-UHFFFAOYSA-N
XLogP4.23
TPSA81.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.23
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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Related Compounds

Prazosin
CID 4893
Prazosin Hydrochloride
CID 68546
Quinoxaline, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furanylcarbonyl)decahydro-, (4aR,8aS)-rel-
CID 132266
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14069003
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
6-methoxy-N-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330172
N-(1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330176
N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine dihydrochloride
CID 5330178
N-(6-chloro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330180

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 5330179) is N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2c(Nc3cccc4ccoc34)ncnc2cc1OCCCN1CCOCC1.
What is the InChIKey of N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is YFRIJEQZCPTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/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/h2,4-6,11,14-16H,3,7-10,12-13H2,1H3,(H,25,26,27).
What are the key properties of N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 434.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 5330179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).