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

C17H15N3O3 — CID 29429467

IUPAC(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1C1CC1
InChIInChI=1S/C17H15N3O3/c21-17-14-6-1-2-7-15(14)18-16(19(17)12-8-9-12)11-4-3-5-13(10-11)20(22)23/h1-7,10,12,16,18H,8-9H2/t16-/m1/s1
InChIKeyXWSILASQOPIVKJ-MRXNPFEDSA-N
MW309.33 g/mol
LogP3.32
Rot. Bonds3

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

(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 29429467) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID29429467
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1C1CC1
InChIInChI=1S/C17H15N3O3/c21-17-14-6-1-2-7-15(14)18-16(19(17)12-8-9-12)11-4-3-5-13(10-11)20(22)23/h1-7,10,12,16,18H,8-9H2/t16-/m1/s1
InChIKeyXWSILASQOPIVKJ-MRXNPFEDSA-N
XLogP3.32
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.32
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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Related Compounds

(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
(2S)-2-(4-chloro-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012094
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-(4-fluorophenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2857755
2-(3-nitrophenyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroquinazolin-4-one
CID 46613504
2-(3-nitrophenyl)-3-(2-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4789027
2-(4-chloro-3-nitrophenyl)-3-cyclohexyl-1,2-dihydroquinazolin-4-one
CID 19617499
(2R)-3-[(4-fluorophenyl)methyl]-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064113
(2R)-2-(4-chloro-3-nitrophenyl)-3-cyclohexyl-1,2-dihydroquinazolin-4-one
CID 51389127
(2S)-3-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 1104815
(2R)-3-(4-morpholin-4-ylphenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 41064449

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one (CID 29429467) is (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XWSILASQOPIVKJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17-14-6-1-2-7-15(14)18-16(19(17)12-8-9-12)11-4-3-5-13(10-11)20(22)23/h1-7,10,12,16,18H,8-9H2/t16-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 309.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 29429467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).