6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine

C13H18N4O2 — CID 22649202

IUPAC6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine
SMILESCOCCCNc1cc2ncnc(N)c2cc1OC
InChIInChI=1S/C13H18N4O2/c1-18-5-3-4-15-11-7-10-9(6-12(11)19-2)13(14)17-8-16-10/h6-8,15H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyQYXRTKHSVRNQIJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.67
Rot. Bonds6

About 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine

6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine (PubChem CID 22649202) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine.

Molecular Properties

Compound Name6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine
PubChem CID22649202
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine
SMILESCOCCCNc1cc2ncnc(N)c2cc1OC
InChIInChI=1S/C13H18N4O2/c1-18-5-3-4-15-11-7-10-9(6-12(11)19-2)13(14)17-8-16-10/h6-8,15H,3-5H2,1-2H3,(H2,14,16,17)
InChIKeyQYXRTKHSVRNQIJ-UHFFFAOYSA-N
XLogP1.67
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine 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

6-methoxyquinazoline-4,7-diamine
CID 142061671
4-amino-6-methoxyquinazolin-7-ol
CID 135697903
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
7-methoxy-6-propan-2-yloxyquinazolin-4-amine
CID 141299467
6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-amine
CID 22649262
2-[4-[3-(4-amino-6-methoxyquinazolin-7-yl)oxypropyl]piperazin-1-yl]ethanol
CID 141094981
1,3-dicyclohexylurea;6,7-dimethoxyquinazolin-4-amine
CID 174731053
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
N-(3-methoxypropyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430140
6,7-dimethylquinazolin-4-amine;ethane
CID 142177634
7-amino-6-(3-methoxypropylamino)-3-methyl-1H-quinoxalin-2-one
CID 11379998

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The IUPAC name of 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine (CID 22649202) is 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine.
What is the SMILES notation for 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The canonical SMILES for 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine is COCCCNc1cc2ncnc(N)c2cc1OC.
What is the InChIKey of 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine?
The InChIKey is QYXRTKHSVRNQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-18-5-3-4-15-11-7-10-9(6-12(11)19-2)13(14)17-8-16-10/h6-8,15H,3-5H2,1-2H3,(H2,14,16,17).
What are the key properties of 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine?
6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine has a molecular weight of 262.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-N-(3-methoxypropyl)quinazoline-4,7-diamine is sourced from PubChem (CID 22649202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).