2,4-dichloro-6,8-dinitroquinazoline

C8H2Cl2N4O4 — CID 155490280

IUPAC2,4-dichloro-6,8-dinitroquinazoline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl2N4O4/c9-7-4-1-3(13(15)16)2-5(14(17)18)6(4)11-8(10)12-7/h1-2H
InChIKeyZHVFLDFMXHLRBM-UHFFFAOYSA-N
MW289.03 g/mol
LogP2.75
Rot. Bonds2

About 2,4-dichloro-6,8-dinitroquinazoline

2,4-dichloro-6,8-dinitroquinazoline (PubChem CID 155490280) has the molecular formula C8H2Cl2N4O4 and a molecular weight of 289.03 g/mol. Its IUPAC name is 2,4-dichloro-6,8-dinitroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6,8-dinitroquinazoline
PubChem CID155490280
Molecular FormulaC8H2Cl2N4O4
Molecular Weight289.03 g/mol
Exact Mass287.95
IUPAC Name2,4-dichloro-6,8-dinitroquinazoline
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H2Cl2N4O4/c9-7-4-1-3(13(15)16)2-5(14(17)18)6(4)11-8(10)12-7/h1-2H
InChIKeyZHVFLDFMXHLRBM-UHFFFAOYSA-N
XLogP2.75
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.03
LogP ≤ 52.75
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'}

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Related Compounds

2,4-dichloro-6-nitroquinazoline
CID 12703366
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
2,4-dichloro-7-nitroquinazoline
CID 12703362
1,3-dinitrophenazine
CID 78388402
6,8-dinitroquinoline
CID 11106850
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CID 8576
N-(2,6-dichlorophenyl)-2,4,6-trinitroaniline
CID 21440765
2,4-dichloro-N-ethyl-6-nitroquinazolin-7-amine
CID 15516080
6,8-dinitro-2,4-diphenylpyrrolo[3,4-c]quinoline-1,3-dione
CID 139216877
1,3,7,9-tetranitrothianthrene
CID 19906745
4-chloro-6-methoxy-8-nitroquinazoline
CID 104782208
4-chloro-2,6-dimethylpyridine;2,4,6-trinitrophenol
CID 172885312

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,8-dinitroquinazoline?
The IUPAC name of 2,4-dichloro-6,8-dinitroquinazoline (CID 155490280) is 2,4-dichloro-6,8-dinitroquinazoline.
What is the SMILES notation for 2,4-dichloro-6,8-dinitroquinazoline?
The canonical SMILES for 2,4-dichloro-6,8-dinitroquinazoline is O=[N+]([O-])c1cc([N+](=O)[O-])c2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6,8-dinitroquinazoline?
The InChIKey is ZHVFLDFMXHLRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2N4O4/c9-7-4-1-3(13(15)16)2-5(14(17)18)6(4)11-8(10)12-7/h1-2H.
What are the key properties of 2,4-dichloro-6,8-dinitroquinazoline?
2,4-dichloro-6,8-dinitroquinazoline has a molecular weight of 289.03 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,8-dinitroquinazoline is sourced from PubChem (CID 155490280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).