N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine

C24H28N6O2 — CID 163473289

IUPACN-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
SMILESCOc1cc(Nc2ncc3cc(C)c4ncn(C(C)C)c4c3n2)ccc1N1CCOCC1
InChIInChI=1S/C24H28N6O2/c1-15(2)30-14-26-21-16(3)11-17-13-25-24(28-22(17)23(21)30)27-18-5-6-19(20(12-18)31-4)29-7-9-32-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,25,27,28)
InChIKeyBYIXKZJUNRNYSB-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.46
Rot. Bonds5

About N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine

N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine (PubChem CID 163473289) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
PubChem CID163473289
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine
SMILESCOc1cc(Nc2ncc3cc(C)c4ncn(C(C)C)c4c3n2)ccc1N1CCOCC1
InChIInChI=1S/C24H28N6O2/c1-15(2)30-14-26-21-16(3)11-17-13-25-24(28-22(17)23(21)30)27-18-5-6-19(20(12-18)31-4)29-7-9-32-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,25,27,28)
InChIKeyBYIXKZJUNRNYSB-UHFFFAOYSA-N
XLogP4.46
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine?
The IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine (CID 163473289) is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine.
What is the SMILES notation for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine?
The canonical SMILES for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine is COc1cc(Nc2ncc3cc(C)c4ncn(C(C)C)c4c3n2)ccc1N1CCOCC1.
What is the InChIKey of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine?
The InChIKey is BYIXKZJUNRNYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(2)30-14-26-21-16(3)11-17-13-25-24(28-22(17)23(21)30)27-18-5-6-19(20(12-18)31-4)29-7-9-32-10-8-29/h5-6,11-15H,7-10H2,1-4H3,(H,25,27,28).
What are the key properties of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine?
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine has a molecular weight of 432.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-methyl-1-propan-2-ylimidazo[4,5-h]quinazolin-8-amine is sourced from PubChem (CID 163473289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).