8-nitropyrido[2,1-b]quinazolin-11-one

C12H7N3O3 — CID 71329099

IUPAC8-nitropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C12H7N3O3/c16-12-9-3-1-2-4-10(9)13-11-6-5-8(15(17)18)7-14(11)12/h1-7H
InChIKeyJNVDIXKWKZRTOW-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.76
Rot. Bonds1

About 8-nitropyrido[2,1-b]quinazolin-11-one

8-nitropyrido[2,1-b]quinazolin-11-one (PubChem CID 71329099) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 8-nitropyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-nitropyrido[2,1-b]quinazolin-11-one
PubChem CID71329099
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name8-nitropyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C12H7N3O3/c16-12-9-3-1-2-4-10(9)13-11-6-5-8(15(17)18)7-14(11)12/h1-7H
InChIKeyJNVDIXKWKZRTOW-UHFFFAOYSA-N
XLogP1.76
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.76
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 8-nitropyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-nitropyrido[2,1-b]quinazolin-11-one (CID 71329099) is 8-nitropyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-nitropyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-nitropyrido[2,1-b]quinazolin-11-one is O=c1c2ccccc2nc2ccc([N+](=O)[O-])cn12.
What is the InChIKey of 8-nitropyrido[2,1-b]quinazolin-11-one?
The InChIKey is JNVDIXKWKZRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c16-12-9-3-1-2-4-10(9)13-11-6-5-8(15(17)18)7-14(11)12/h1-7H.
What are the key properties of 8-nitropyrido[2,1-b]quinazolin-11-one?
8-nitropyrido[2,1-b]quinazolin-11-one has a molecular weight of 241.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitropyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71329099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).