(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one

C20H14FN3O3 — CID 9011901

IUPAC(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O3/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24(26)27)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22H/t19-/m1/s1
InChIKeyZSRWAZYUXSFJCQ-LJQANCHMSA-N
MW363.35 g/mol
LogP4.51
Rot. Bonds3

About (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9011901) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9011901
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O3/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24(26)27)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22H/t19-/m1/s1
InChIKeyZSRWAZYUXSFJCQ-LJQANCHMSA-N
XLogP4.51
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.51
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 (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one (CID 9011901) is (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(F)cc1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ZSRWAZYUXSFJCQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-13-9-11-14(12-10-13)23-19(16-6-2-4-8-18(16)24(26)27)22-17-7-3-1-5-15(17)20(23)25/h1-12,19,22H/t19-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 363.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9011901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).