ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate

C17H17N3O3 — CID 4230117

IUPACethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-2-23-17(22)19-20-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16(20)21/h3-11,15,18H,2H2,1H3,(H,19,22)
InChIKeyRKVJZTAGYSHSBP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.91
Rot. Bonds3

About ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate

ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate (PubChem CID 4230117) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate
PubChem CID4230117
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate
SMILESCCOC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-2-23-17(22)19-20-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16(20)21/h3-11,15,18H,2H2,1H3,(H,19,22)
InChIKeyRKVJZTAGYSHSBP-UHFFFAOYSA-N
XLogP2.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate 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 ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate?
The IUPAC name of ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate (CID 4230117) is ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate?
The canonical SMILES for ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate is CCOC(=O)NN1C(=O)c2ccccc2NC1c1ccccc1.
What is the InChIKey of ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate?
The InChIKey is RKVJZTAGYSHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-23-17(22)19-20-15(12-8-4-3-5-9-12)18-14-11-7-6-10-13(14)16(20)21/h3-11,15,18H,2H2,1H3,(H,19,22).
What are the key properties of ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate?
ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate has a molecular weight of 311.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)carbamate is sourced from PubChem (CID 4230117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).