N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine

C16H14N6 — CID 11312318

IUPACN-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc(N=[N+]=[N-])cc2)c2ccccc2n1
InChIInChI=1S/C16H14N6/c1-11-18-15-6-4-3-5-14(15)16(19-11)22(2)13-9-7-12(8-10-13)20-21-17/h3-10H,1-2H3
InChIKeyCOYWAYUWYWGJBC-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.65
Rot. Bonds3

About N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine

N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11312318) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11312318
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC NameN-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine
SMILESCc1nc(N(C)c2ccc(N=[N+]=[N-])cc2)c2ccccc2n1
InChIInChI=1S/C16H14N6/c1-11-18-15-6-4-3-5-14(15)16(19-11)22(2)13-9-7-12(8-10-13)20-21-17/h3-10H,1-2H3
InChIKeyCOYWAYUWYWGJBC-UHFFFAOYSA-N
XLogP4.65
TPSA77.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine (CID 11312318) is N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine is Cc1nc(N(C)c2ccc(N=[N+]=[N-])cc2)c2ccccc2n1.
What is the InChIKey of N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is COYWAYUWYWGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-11-18-15-6-4-3-5-14(15)16(19-11)22(2)13-9-7-12(8-10-13)20-21-17/h3-10H,1-2H3.
What are the key properties of N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine?
N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-azidophenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11312318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).