N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide

C25H33N5O3 — CID 10072518

IUPACN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
SMILESCOc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC
InChIInChI=1S/C25H33N5O3/c1-29(24(31)18-12-8-7-9-13-18)14-10-5-6-11-15-30(2)25-27-20-17-22(33-4)21(32-3)16-19(20)23(26)28-25/h7-9,12-13,16-17H,5-6,10-11,14-15H2,1-4H3,(H2,26,27,28)
InChIKeyLLUFTDXWFHPSPE-UHFFFAOYSA-N
MW451.57 g/mol
LogP4.00
Rot. Bonds11

About N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide

N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide (PubChem CID 10072518) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
PubChem CID10072518
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide
SMILESCOc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC
InChIInChI=1S/C25H33N5O3/c1-29(24(31)18-12-8-7-9-13-18)14-10-5-6-11-15-30(2)25-27-20-17-22(33-4)21(32-3)16-19(20)23(26)28-25/h7-9,12-13,16-17H,5-6,10-11,14-15H2,1-4H3,(H2,26,27,28)
InChIKeyLLUFTDXWFHPSPE-UHFFFAOYSA-N
XLogP4.00
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide 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-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide?
The IUPAC name of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide (CID 10072518) is N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide.
What is the SMILES notation for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide?
The canonical SMILES for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide is COc1cc2nc(N(C)CCCCCCN(C)C(=O)c3ccccc3)nc(N)c2cc1OC.
What is the InChIKey of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide?
The InChIKey is LLUFTDXWFHPSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-29(24(31)18-12-8-7-9-13-18)14-10-5-6-11-15-30(2)25-27-20-17-22(33-4)21(32-3)16-19(20)23(26)28-25/h7-9,12-13,16-17H,5-6,10-11,14-15H2,1-4H3,(H2,26,27,28).
What are the key properties of N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide?
N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide has a molecular weight of 451.57 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]hexyl]-N-methylbenzamide is sourced from PubChem (CID 10072518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).