7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

C28H30N4O3 — CID 54490718

IUPAC7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)ccc34)cc2)cc1
InChIInChI=1S/C28H30N4O3/c1-2-5-22(6-3-1)20-35-24-9-7-23(8-10-24)31-28-26-12-11-25(19-27(26)29-21-30-28)34-16-4-13-32-14-17-33-18-15-32/h1-3,5-12,19,21H,4,13-18,20H2,(H,29,30,31)
InChIKeyZVSXUTBWHRHVDP-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.05
Rot. Bonds10

About 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (PubChem CID 54490718) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
PubChem CID54490718
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)ccc34)cc2)cc1
InChIInChI=1S/C28H30N4O3/c1-2-5-22(6-3-1)20-35-24-9-7-23(8-10-24)31-28-26-12-11-25(19-27(26)29-21-30-28)34-16-4-13-32-14-17-33-18-15-32/h1-3,5-12,19,21H,4,13-18,20H2,(H,29,30,31)
InChIKeyZVSXUTBWHRHVDP-UHFFFAOYSA-N
XLogP5.05
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)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

1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898764
4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
7-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57193633
7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 67618217
1-benzyl-3-[4-[[7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898684
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 24737854
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 67566153
7-methoxy-N-[4-(C-methyl-N-phenylmethoxycarbonimidoyl)phenyl]-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;sulfuric acid
CID 85149631
N-[4-(3-methoxy-4-phenylmethoxyanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide
CID 18535837
2-[4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenoxy]benzonitrile
CID 175809881
7-N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]-6-methoxy-4-N-(4-phenylmethoxyphenyl)quinazoline-4,7-diamine
CID 67566020

Frequently Asked Questions

What is the IUPAC name of 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine (CID 54490718) is 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is c1ccc(COc2ccc(Nc3ncnc4cc(OCCCN5CCOCC5)ccc34)cc2)cc1.
What is the InChIKey of 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
The InChIKey is ZVSXUTBWHRHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-2-5-22(6-3-1)20-35-24-9-7-23(8-10-24)31-28-26-12-11-25(19-27(26)29-21-30-28)34-16-4-13-32-14-17-33-18-15-32/h1-3,5-12,19,21H,4,13-18,20H2,(H,29,30,31).
What are the key properties of 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine?
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine has a molecular weight of 470.57 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 54490718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).