2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone

C18H14N4O3 — CID 66595179

IUPAC2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone
SMILESO=C(C=C1Nc2ccc([N+](=O)[O-])cc2C2=NCCN12)c1ccccc1
InChIInChI=1S/C18H14N4O3/c23-16(12-4-2-1-3-5-12)11-17-20-15-7-6-13(22(24)25)10-14(15)18-19-8-9-21(17)18/h1-7,10-11,20H,8-9H2
InChIKeyAQFRIOWURJLVKI-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.81
Rot. Bonds3

About 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone

2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone (PubChem CID 66595179) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone.

Molecular Properties

Compound Name2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone
PubChem CID66595179
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone
SMILESO=C(C=C1Nc2ccc([N+](=O)[O-])cc2C2=NCCN12)c1ccccc1
InChIInChI=1S/C18H14N4O3/c23-16(12-4-2-1-3-5-12)11-17-20-15-7-6-13(22(24)25)10-14(15)18-19-8-9-21(17)18/h1-7,10-11,20H,8-9H2
InChIKeyAQFRIOWURJLVKI-UHFFFAOYSA-N
XLogP2.81
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone?
The IUPAC name of 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone (CID 66595179) is 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone.
What is the SMILES notation for 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone?
The canonical SMILES for 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone is O=C(C=C1Nc2ccc([N+](=O)[O-])cc2C2=NCCN12)c1ccccc1.
What is the InChIKey of 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone?
The InChIKey is AQFRIOWURJLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-16(12-4-2-1-3-5-12)11-17-20-15-7-6-13(22(24)25)10-14(15)18-19-8-9-21(17)18/h1-7,10-11,20H,8-9H2.
What are the key properties of 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone?
2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone has a molecular weight of 334.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-nitro-3,6-dihydro-2H-imidazo[1,2-c]quinazolin-5-ylidene)-1-phenylethanone is sourced from PubChem (CID 66595179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).