2,4-dichloro-6-nitroquinazoline

C8H3Cl2N3O2 — CID 12703366

IUPAC2,4-dichloro-6-nitroquinazoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H
InChIKeyHGHPXBLOAQXDCO-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.84
Rot. Bonds1

About 2,4-dichloro-6-nitroquinazoline

2,4-dichloro-6-nitroquinazoline (PubChem CID 12703366) has the molecular formula C8H3Cl2N3O2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 2,4-dichloro-6-nitroquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6-nitroquinazoline
PubChem CID12703366
Molecular FormulaC8H3Cl2N3O2
Molecular Weight244.04 g/mol
Exact Mass242.96
IUPAC Name2,4-dichloro-6-nitroquinazoline
SMILESO=[N+]([O-])c1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H
InChIKeyHGHPXBLOAQXDCO-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-nitroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-7-nitroquinazoline
CID 12703362
2-chloro-N-(4-methoxyphenyl)-N-methyl-6-nitroquinazolin-4-amine
CID 11609884
N-benzyl-2-chloro-6-nitroquinazolin-4-amine
CID 18326533
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
4-chloro-2-(2,5-dibromothiophen-3-yl)-6-nitroquinazoline
CID 107960357
2,4-dichloro-6,8-dinitroquinazoline
CID 155490280
1,4-dichloro-6-nitrophthalazine
CID 10800302
N-(1-adamantyl)-2-chloro-6-nitroquinazolin-4-amine
CID 18326433
2-chloro-6-nitro-4-phenylquinoline
CID 21488599
methyl 3-[(2-chloro-6-nitroquinazolin-4-yl)amino]propanoate
CID 121002279
2-chloro-6-nitro-N-(2-propoxyethyl)quinazolin-4-amine
CID 18326535
2-(chloromethyl)-4-methyl-6-nitroquinoline
CID 139719779

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-nitroquinazoline?
The IUPAC name of 2,4-dichloro-6-nitroquinazoline (CID 12703366) is 2,4-dichloro-6-nitroquinazoline.
What is the SMILES notation for 2,4-dichloro-6-nitroquinazoline?
The canonical SMILES for 2,4-dichloro-6-nitroquinazoline is O=[N+]([O-])c1ccc2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-nitroquinazoline?
The InChIKey is HGHPXBLOAQXDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2N3O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H.
What are the key properties of 2,4-dichloro-6-nitroquinazoline?
2,4-dichloro-6-nitroquinazoline has a molecular weight of 244.04 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-nitroquinazoline is sourced from PubChem (CID 12703366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).