10-nitro-2-phenylpyrido[3,4-g]quinazoline

C17H10N4O2 — CID 162645182

IUPAC10-nitro-2-phenylpyrido[3,4-g]quinazoline
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C17H10N4O2/c22-21(23)16-14-6-7-18-9-12(14)8-13-10-19-17(20-15(13)16)11-4-2-1-3-5-11/h1-10H
InChIKeyNAQDCPPFFMCURJ-UHFFFAOYSA-N
MW302.29 g/mol
LogP3.75
Rot. Bonds2

About 10-nitro-2-phenylpyrido[3,4-g]quinazoline

10-nitro-2-phenylpyrido[3,4-g]quinazoline (PubChem CID 162645182) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is 10-nitro-2-phenylpyrido[3,4-g]quinazoline.

Molecular Properties

Compound Name10-nitro-2-phenylpyrido[3,4-g]quinazoline
PubChem CID162645182
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Name10-nitro-2-phenylpyrido[3,4-g]quinazoline
SMILESO=[N+]([O-])c1c2ccncc2cc2cnc(-c3ccccc3)nc12
InChIInChI=1S/C17H10N4O2/c22-21(23)16-14-6-7-18-9-12(14)8-13-10-19-17(20-15(13)16)11-4-2-1-3-5-11/h1-10H
InChIKeyNAQDCPPFFMCURJ-UHFFFAOYSA-N
XLogP3.75
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-2-phenylpyrido[3,4-g]quinazoline?
The IUPAC name of 10-nitro-2-phenylpyrido[3,4-g]quinazoline (CID 162645182) is 10-nitro-2-phenylpyrido[3,4-g]quinazoline.
What is the SMILES notation for 10-nitro-2-phenylpyrido[3,4-g]quinazoline?
The canonical SMILES for 10-nitro-2-phenylpyrido[3,4-g]quinazoline is O=[N+]([O-])c1c2ccncc2cc2cnc(-c3ccccc3)nc12.
What is the InChIKey of 10-nitro-2-phenylpyrido[3,4-g]quinazoline?
The InChIKey is NAQDCPPFFMCURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2/c22-21(23)16-14-6-7-18-9-12(14)8-13-10-19-17(20-15(13)16)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 10-nitro-2-phenylpyrido[3,4-g]quinazoline?
10-nitro-2-phenylpyrido[3,4-g]quinazoline has a molecular weight of 302.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-2-phenylpyrido[3,4-g]quinazoline is sourced from PubChem (CID 162645182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).