10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine

C17H11N5O2 — CID 155527822

IUPAC10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2c(-c3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C17H11N5O2/c18-17-20-9-13-14(10-4-2-1-3-5-10)12-8-19-7-6-11(12)16(22(23)24)15(13)21-17/h1-9H,(H2,18,20,21)
InChIKeyUNTSUZOXTIJYBK-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.34
Rot. Bonds2

About 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine

10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine (PubChem CID 155527822) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine.

Molecular Properties

Compound Name10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine
PubChem CID155527822
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine
SMILESNc1ncc2c(-c3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1
InChIInChI=1S/C17H11N5O2/c18-17-20-9-13-14(10-4-2-1-3-5-10)12-8-19-7-6-11(12)16(22(23)24)15(13)21-17/h1-9H,(H2,18,20,21)
InChIKeyUNTSUZOXTIJYBK-UHFFFAOYSA-N
XLogP3.34
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.34
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 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine?
The IUPAC name of 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine (CID 155527822) is 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine.
What is the SMILES notation for 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine?
The canonical SMILES for 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine is Nc1ncc2c(-c3ccccc3)c3cnccc3c([N+](=O)[O-])c2n1.
What is the InChIKey of 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine?
The InChIKey is UNTSUZOXTIJYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c18-17-20-9-13-14(10-4-2-1-3-5-10)12-8-19-7-6-11(12)16(22(23)24)15(13)21-17/h1-9H,(H2,18,20,21).
What are the key properties of 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine?
10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine has a molecular weight of 317.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-5-phenylpyrido[3,4-g]quinazolin-2-amine is sourced from PubChem (CID 155527822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).