2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine

C21H18N6O2 — CID 156536753

IUPAC2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine
SMILESCN(c1cccc(-c2ccccc2)c1)c1nc(NN)nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C21H18N6O2/c1-26(16-9-5-8-15(12-16)14-6-3-2-4-7-14)20-18-11-10-17(27(28)29)13-19(18)23-21(24-20)25-22/h2-13H,22H2,1H3,(H,23,24,25)
InChIKeyFZRXLIIMJKVYPE-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.26
Rot. Bonds5

About 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine

2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine (PubChem CID 156536753) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine
PubChem CID156536753
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine
SMILESCN(c1cccc(-c2ccccc2)c1)c1nc(NN)nc2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C21H18N6O2/c1-26(16-9-5-8-15(12-16)14-6-3-2-4-7-14)20-18-11-10-17(27(28)29)13-19(18)23-21(24-20)25-22/h2-13H,22H2,1H3,(H,23,24,25)
InChIKeyFZRXLIIMJKVYPE-UHFFFAOYSA-N
XLogP4.26
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine (CID 156536753) is 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine is CN(c1cccc(-c2ccccc2)c1)c1nc(NN)nc2cc([N+](=O)[O-])ccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine?
The InChIKey is FZRXLIIMJKVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-26(16-9-5-8-15(12-16)14-6-3-2-4-7-14)20-18-11-10-17(27(28)29)13-19(18)23-21(24-20)25-22/h2-13H,22H2,1H3,(H,23,24,25).
What are the key properties of 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine?
2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine has a molecular weight of 386.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-7-nitro-N-(3-phenylphenyl)quinazolin-4-amine is sourced from PubChem (CID 156536753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).