6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine

C16H23N3O4 — CID 149497994

IUPAC6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
SMILESCOCCOc1cc2ncnc(N(C)C)c2cc1OCCOC
InChIInChI=1S/C16H23N3O4/c1-19(2)16-12-9-14(22-7-5-20-3)15(23-8-6-21-4)10-13(12)17-11-18-16/h9-11H,5-8H2,1-4H3
InChIKeyZGKSZBRHXRWXJN-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.75
Rot. Bonds9

About 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine

6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine (PubChem CID 149497994) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
PubChem CID149497994
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine
SMILESCOCCOc1cc2ncnc(N(C)C)c2cc1OCCOC
InChIInChI=1S/C16H23N3O4/c1-19(2)16-12-9-14(22-7-5-20-3)15(23-8-6-21-4)10-13(12)17-11-18-16/h9-11H,5-8H2,1-4H3
InChIKeyZGKSZBRHXRWXJN-UHFFFAOYSA-N
XLogP1.75
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
6-[3-(dimethylamino)propoxy]-N,N-difluoro-7-methoxyquinazolin-4-amine
CID 87867120
N-(2-fluoro-4-methylphenyl)-N-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]hydroxylamine
CID 57300434
N-(3-ethynyl-4-methylphenyl)-6,7-bis(2-methoxyethoxy)-N-phosphanylquinazolin-4-amine
CID 123879489
4-chloro-7-(2-methoxyethoxy)quinazolin-6-ol
CID 25258085
6,7-diethoxy-N-ethyl-N-methylquinazolin-4-amine chloride
CID 160550418
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
6-methoxy-7-(2-methoxyethoxy)-N-(2,3,5-trimethoxyphenyl)quinazolin-4-amine
CID 11517241
2-bromo-5-[[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]amino]cyclohexa-2,5-diene-1,4-dione
CID 11704732
2-[5-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]sulfanyltetrazol-1-yl]-N,N-dimethylethanamine;hydrochloride
CID 171349370
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine (CID 149497994) is 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine is COCCOc1cc2ncnc(N(C)C)c2cc1OCCOC.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine?
The InChIKey is ZGKSZBRHXRWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-19(2)16-12-9-14(22-7-5-20-3)15(23-8-6-21-4)10-13(12)17-11-18-16/h9-11H,5-8H2,1-4H3.
What are the key properties of 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine?
6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 1.75, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 149497994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).