5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine

C18H13N5O2 — CID 155555615

IUPAC5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2c(Cc3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C18H13N5O2/c19-18-21-10-15-13(8-11-4-2-1-3-5-11)14-9-20-7-6-12(14)17(23(24)25)16(15)22-18/h1-7,9-10H,8H2,(H2,19,21,22)
InChIKeyHKFFAQJEQHGHRI-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.26
Rot. Bonds3

About 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine

5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine (PubChem CID 155555615) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound Name5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine
PubChem CID155555615
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2c(Cc3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C18H13N5O2/c19-18-21-10-15-13(8-11-4-2-1-3-5-11)14-9-20-7-6-12(14)17(23(24)25)16(15)22-18/h1-7,9-10H,8H2,(H2,19,21,22)
InChIKeyHKFFAQJEQHGHRI-UHFFFAOYSA-N
XLogP3.26
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine (CID 155555615) is 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine is Nc1ncc2c(Cc3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1.
What is the InChIKey of 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
The InChIKey is HKFFAQJEQHGHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-18-21-10-15-13(8-11-4-2-1-3-5-11)14-9-20-7-6-12(14)17(23(24)25)16(15)22-18/h1-7,9-10H,8H2,(H2,19,21,22).
What are the key properties of 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine?
5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-10-nitropyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 155555615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).