6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one

C13H10N4O3 — CID 45113124

IUPAC6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccncc2)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H10N4O3/c18-13-10-7-9(17(19)20)1-2-11(10)15-12(16-13)8-3-5-14-6-4-8/h1-7,12,15H,(H,16,18)
InChIKeyVERQSFCLFFKUCN-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.84
Rot. Bonds2

About 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one

6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 45113124) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID45113124
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2ccncc2)Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H10N4O3/c18-13-10-7-9(17(19)20)1-2-11(10)15-12(16-13)8-3-5-14-6-4-8/h1-7,12,15H,(H,16,18)
InChIKeyVERQSFCLFFKUCN-UHFFFAOYSA-N
XLogP1.84
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
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'}

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Related Compounds

(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
6-nitro-2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 2796989
(2R)-6-nitro-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 7176829
6-nitro-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 10064275
3-methyl-7-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 4860868
2-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]oxyphenyl]-6-nitro-2,3-dihydro-1H-quinazolin-4-one
CID 172562176
4-nitropyridine;hydrate
CID 132647818
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
4-fluoro-3-methyl-6-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 118098671
ethane;2-(4-hydroxyphenyl)-6-nitro-2,3-dihydro-1,3-benzothiazin-4-one
CID 172562177
5-methoxy-2-(4-nitrophenyl)-2,3-dihydro-1H-pyrimidin-4-one
CID 142765184

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one (CID 45113124) is 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2ccncc2)Nc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is VERQSFCLFFKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13-10-7-9(17(19)20)1-2-11(10)15-12(16-13)8-3-5-14-6-4-8/h1-7,12,15H,(H,16,18).
What are the key properties of 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one?
6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 270.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 45113124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).