8-nitropyrimido[2,1-b]quinazolin-6-one

C11H6N4O3 — CID 15548245

IUPAC8-nitropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2cc([N+](=O)[O-])ccc2nc2ncccn12
InChIInChI=1S/C11H6N4O3/c16-10-8-6-7(15(17)18)2-3-9(8)13-11-12-4-1-5-14(10)11/h1-6H
InChIKeyPNUONYTXFCKULS-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.15
Rot. Bonds1

About 8-nitropyrimido[2,1-b]quinazolin-6-one

8-nitropyrimido[2,1-b]quinazolin-6-one (PubChem CID 15548245) has the molecular formula C11H6N4O3 and a molecular weight of 242.19 g/mol. Its IUPAC name is 8-nitropyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name8-nitropyrimido[2,1-b]quinazolin-6-one
PubChem CID15548245
Molecular FormulaC11H6N4O3
Molecular Weight242.19 g/mol
Exact Mass242.04
IUPAC Name8-nitropyrimido[2,1-b]quinazolin-6-one
SMILESO=c1c2cc([N+](=O)[O-])ccc2nc2ncccn12
InChIInChI=1S/C11H6N4O3/c16-10-8-6-7(15(17)18)2-3-9(8)13-11-12-4-1-5-14(10)11/h1-6H
InChIKeyPNUONYTXFCKULS-UHFFFAOYSA-N
XLogP1.15
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.15
H-Bond Donors ≤ 50
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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Related Compounds

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3-benzyl-2-methyl-6-nitroquinazolin-4-one
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(1R)-7-nitro-1-phenyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 7312400
7-nitro-1-phenyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
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8-nitro-3,4-dihydro-1H-pyrimido[2,1-b]quinazoline-2,6-dione
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Frequently Asked Questions

What is the IUPAC name of 8-nitropyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 8-nitropyrimido[2,1-b]quinazolin-6-one (CID 15548245) is 8-nitropyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 8-nitropyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 8-nitropyrimido[2,1-b]quinazolin-6-one is O=c1c2cc([N+](=O)[O-])ccc2nc2ncccn12.
What is the InChIKey of 8-nitropyrimido[2,1-b]quinazolin-6-one?
The InChIKey is PNUONYTXFCKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O3/c16-10-8-6-7(15(17)18)2-3-9(8)13-11-12-4-1-5-14(10)11/h1-6H.
What are the key properties of 8-nitropyrimido[2,1-b]quinazolin-6-one?
8-nitropyrimido[2,1-b]quinazolin-6-one has a molecular weight of 242.19 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitropyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 15548245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).