7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

C17H16N6O — CID 11186268

IUPAC7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(N=[N+]=[N-])ccc23)cc1
InChIInChI=1S/C17H16N6O/c1-11-19-16-10-12(21-22-18)4-9-15(16)17(20-11)23(2)13-5-7-14(24-3)8-6-13/h4-10H,1-3H3
InChIKeyQFYPUPIMOUWVEZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.66
Rot. Bonds4

About 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11186268) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11186268
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3cc(N=[N+]=[N-])ccc23)cc1
InChIInChI=1S/C17H16N6O/c1-11-19-16-10-12(21-22-18)4-9-15(16)17(20-11)23(2)13-5-7-14(24-3)8-6-13/h4-10H,1-3H3
InChIKeyQFYPUPIMOUWVEZ-UHFFFAOYSA-N
XLogP4.66
TPSA87.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (CID 11186268) is 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3cc(N=[N+]=[N-])ccc23)cc1.
What is the InChIKey of 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is QFYPUPIMOUWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-11-19-16-10-12(21-22-18)4-9-15(16)17(20-11)23(2)13-5-7-14(24-3)8-6-13/h4-10H,1-3H3.
What are the key properties of 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azido-N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11186268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).