N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine

C27H21Cl2N7O — CID 23388867

About N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine

N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine (PubChem CID 23388867) has the molecular formula C27H21Cl2N7O and a molecular weight of 530.42 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
• PubChem CID: 23388867
• Molecular Formula: C27H21Cl2N7O
• Molecular Weight: 530.42 g/mol
• Exact Mass: 529.12
• IUPAC Name: N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine
• SMILES: Cc1c(-c2cccc(Cl)c2)c2cc(C(NO)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12
• InChI: InChI=1S/C27H21Cl2N7O/c1-16-25(17-4-3-5-21(29)12-17)22-13-19(8-11-23(22)36-26(16)31-33-34-36)27(32-37,24-14-30-15-35(24)2)18-6-9-20(28)10-7-18/h3-15,32,37H,1-2H3
• InChIKey: YSVSZPDRXSDRNF-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 93.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.42
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine?

The IUPAC name of N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine (CID 23388867) is N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine.

What is the SMILES notation for N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine?

The canonical SMILES for N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine is Cc1c(-c2cccc(Cl)c2)c2cc(C(NO)(c3ccc(Cl)cc3)c3cncn3C)ccc2n2nnnc12.

What is the InChIKey of N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine?

The InChIKey is YSVSZPDRXSDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N7O/c1-16-25(17-4-3-5-21(29)12-17)22-13-19(8-11-23(22)36-26(16)31-33-34-36)27(32-37,24-14-30-15-35(24)2)18-6-9-20(28)10-7-18/h3-15,32,37H,1-2H3.

What are the key properties of N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine?

N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine has a molecular weight of 530.42 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)-[5-(3-chlorophenyl)-4-methyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 23388867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).