4-(2,4-dinitrophenyl)-2-phenylquinazoline

C20H12N4O4 — CID 3744800

IUPAC4-(2,4-dinitrophenyl)-2-phenylquinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12N4O4/c25-23(26)14-10-11-16(18(12-14)24(27)28)19-15-8-4-5-9-17(15)21-20(22-19)13-6-2-1-3-7-13/h1-12H
InChIKeyAHRIFWJBSUNPAG-UHFFFAOYSA-N
MW372.34 g/mol
LogP4.78
Rot. Bonds4

About 4-(2,4-dinitrophenyl)-2-phenylquinazoline

4-(2,4-dinitrophenyl)-2-phenylquinazoline (PubChem CID 3744800) has the molecular formula C20H12N4O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 4-(2,4-dinitrophenyl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(2,4-dinitrophenyl)-2-phenylquinazoline
PubChem CID3744800
Molecular FormulaC20H12N4O4
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name4-(2,4-dinitrophenyl)-2-phenylquinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C20H12N4O4/c25-23(26)14-10-11-16(18(12-14)24(27)28)19-15-8-4-5-9-17(15)21-20(22-19)13-6-2-1-3-7-13/h1-12H
InChIKeyAHRIFWJBSUNPAG-UHFFFAOYSA-N
XLogP4.78
TPSA112.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 54.78
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

4-[5-nitro-2-(3-nitrophenoxy)phenyl]-2-phenylquinazoline
CID 2179824
5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
CID 8895310
2-(4-methylphenyl)-6-nitro-4-phenylquinazoline
CID 102342967
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
6-chloro-2-(4-nitrophenyl)-4-phenylquinazoline
CID 15566178
4-nitro-N-[4-(2-phenylquinazolin-4-yl)phenyl]benzamide
CID 3100260
4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
6-nitro-3-phenyl-1,2,4-benzotriazine
CID 71332130
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
3-nitroacridin-9-amine
CID 26592
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dinitrophenyl)-2-phenylquinazoline?
The IUPAC name of 4-(2,4-dinitrophenyl)-2-phenylquinazoline (CID 3744800) is 4-(2,4-dinitrophenyl)-2-phenylquinazoline.
What is the SMILES notation for 4-(2,4-dinitrophenyl)-2-phenylquinazoline?
The canonical SMILES for 4-(2,4-dinitrophenyl)-2-phenylquinazoline is O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)nc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2,4-dinitrophenyl)-2-phenylquinazoline?
The InChIKey is AHRIFWJBSUNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O4/c25-23(26)14-10-11-16(18(12-14)24(27)28)19-15-8-4-5-9-17(15)21-20(22-19)13-6-2-1-3-7-13/h1-12H.
What are the key properties of 4-(2,4-dinitrophenyl)-2-phenylquinazoline?
4-(2,4-dinitrophenyl)-2-phenylquinazoline has a molecular weight of 372.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dinitrophenyl)-2-phenylquinazoline is sourced from PubChem (CID 3744800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).