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

C17H15N3O3 — CID 9012085

IUPAC(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1C1CC1
InChIInChI=1S/C17H15N3O3/c21-17-14-3-1-2-4-15(14)18-16(19(17)12-9-10-12)11-5-7-13(8-6-11)20(22)23/h1-8,12,16,18H,9-10H2/t16-/m1/s1
InChIKeyKUZPAWPQXSSSMW-MRXNPFEDSA-N
MW309.33 g/mol
LogP3.32
Rot. Bonds3

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

(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 9012085) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID9012085
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1C1CC1
InChIInChI=1S/C17H15N3O3/c21-17-14-3-1-2-4-15(14)18-16(19(17)12-9-10-12)11-5-7-13(8-6-11)20(22)23/h1-8,12,16,18H,9-10H2/t16-/m1/s1
InChIKeyKUZPAWPQXSSSMW-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'}

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

(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-2-(4-chloro-3-nitrophenyl)-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 9012094
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
2-(4-chloro-3-nitrophenyl)-3-cyclohexyl-1,2-dihydroquinazolin-4-one
CID 19617499
(2R)-2-(4-chloro-3-nitrophenyl)-3-cyclohexyl-1,2-dihydroquinazolin-4-one
CID 51389127
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2S)-3-[(2R)-butan-2-yl]-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012010
4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate
CID 9012101
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2R)-3-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011773

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one (CID 9012085) is (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1C1CC1.
What is the InChIKey of (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is KUZPAWPQXSSSMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17-14-3-1-2-4-15(14)18-16(19(17)12-9-10-12)11-5-7-13(8-6-11)20(22)23/h1-8,12,16,18H,9-10H2/t16-/m1/s1.
What are the key properties of (2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-cyclopropyl-2-(4-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-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).