7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline

C20H14FN3O2 — CID 15062183

IUPAC7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline
SMILESO=[N+]([O-])c1ccc(C2N=C(c3ccccc3)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C20H14FN3O2/c21-15-8-11-17-18(12-15)22-20(14-4-2-1-3-5-14)23-19(17)13-6-9-16(10-7-13)24(25)26/h1-12,19H,(H,22,23)
InChIKeyQVXVLQRJVSBSBT-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.70
Rot. Bonds3

About 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline

7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline (PubChem CID 15062183) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline
PubChem CID15062183
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline
SMILESO=[N+]([O-])c1ccc(C2N=C(c3ccccc3)Nc3cc(F)ccc32)cc1
InChIInChI=1S/C20H14FN3O2/c21-15-8-11-17-18(12-15)22-20(14-4-2-1-3-5-14)23-19(17)13-6-9-16(10-7-13)24(25)26/h1-12,19H,(H,22,23)
InChIKeyQVXVLQRJVSBSBT-UHFFFAOYSA-N
XLogP4.70
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline?
The IUPAC name of 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline (CID 15062183) is 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline.
What is the SMILES notation for 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline?
The canonical SMILES for 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline is O=[N+]([O-])c1ccc(C2N=C(c3ccccc3)Nc3cc(F)ccc32)cc1.
What is the InChIKey of 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline?
The InChIKey is QVXVLQRJVSBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c21-15-8-11-17-18(12-15)22-20(14-4-2-1-3-5-14)23-19(17)13-6-9-16(10-7-13)24(25)26/h1-12,19H,(H,22,23).
What are the key properties of 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline?
7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline has a molecular weight of 347.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-nitrophenyl)-2-phenyl-1,4-dihydroquinazoline is sourced from PubChem (CID 15062183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).