7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

C23H29N4O3P — CID 170088513

IUPAC7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(P)c(C)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H29N4O3P/c1-16-12-17(4-5-22(16)31)26-23-18-13-21(20(28-2)14-19(18)24-15-25-23)30-9-3-6-27-7-10-29-11-8-27/h4-5,12-15H,3,6-11,31H2,1-2H3,(H,24,25,26)
InChIKeyLYNXBHFRDNFNCX-UHFFFAOYSA-N
MW440.48 g/mol
LogP3.29
Rot. Bonds8

About 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (PubChem CID 170088513) has the molecular formula C23H29N4O3P and a molecular weight of 440.48 g/mol. Its IUPAC name is 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
PubChem CID170088513
Molecular FormulaC23H29N4O3P
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC Name7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(P)c(C)c3)c2cc1OCCCN1CCOCC1
InChIInChI=1S/C23H29N4O3P/c1-16-12-17(4-5-22(16)31)26-23-18-13-21(20(28-2)14-19(18)24-15-25-23)30-9-3-6-27-7-10-29-11-8-27/h4-5,12-15H,3,6-11,31H2,1-2H3,(H,24,25,26)
InChIKeyLYNXBHFRDNFNCX-UHFFFAOYSA-N
XLogP3.29
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(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

Related Compounds

N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604
N-(3-chloro-4-phosphanylphenyl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 129263058
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141309114
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(4-chloro-3-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
CID 169437574
4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1-methylpyrrole-2-carboxylic acid
CID 58608335
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;2-hydroxyacetic acid
CID 175377162
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine (CID 170088513) is 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(P)c(C)c3)c2cc1OCCCN1CCOCC1.
What is the InChIKey of 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
The InChIKey is LYNXBHFRDNFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N4O3P/c1-16-12-17(4-5-22(16)31)26-23-18-13-21(20(28-2)14-19(18)24-15-25-23)30-9-3-6-27-7-10-29-11-8-27/h4-5,12-15H,3,6-11,31H2,1-2H3,(H,24,25,26).
What are the key properties of 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine?
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine has a molecular weight of 440.48 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine is sourced from PubChem (CID 170088513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).