ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate

C17H24N4O3 — CID 665873

IUPACethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C17H24N4O3/c1-4-24-17(23)21-7-5-20(6-8-21)16-18-12(3)15-13(19-16)9-11(2)10-14(15)22/h11H,4-10H2,1-3H3
InChIKeyMQHDVBVKAYIRKN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.83
Rot. Bonds2

About ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate

ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 665873) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
PubChem CID665873
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1
InChIInChI=1S/C17H24N4O3/c1-4-24-17(23)21-7-5-20(6-8-21)16-18-12(3)15-13(19-16)9-11(2)10-14(15)22/h11H,4-10H2,1-3H3
InChIKeyMQHDVBVKAYIRKN-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate 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 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate (CID 665873) is ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1.
What is the InChIKey of ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is MQHDVBVKAYIRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-24-17(23)21-7-5-20(6-8-21)16-18-12(3)15-13(19-16)9-11(2)10-14(15)22/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate?
ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 665873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).