ethyl 4-(tert-butylamino)quinazoline-2-carboxylate

C15H19N3O2 — CID 5330897

IUPACethyl 4-(tert-butylamino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-5-20-14(19)13-16-11-9-7-6-8-10(11)12(17-13)18-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyFTQWNIXCYZUMFT-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.02
Rot. Bonds3

About ethyl 4-(tert-butylamino)quinazoline-2-carboxylate

ethyl 4-(tert-butylamino)quinazoline-2-carboxylate (PubChem CID 5330897) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 4-(tert-butylamino)quinazoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(tert-butylamino)quinazoline-2-carboxylate
PubChem CID5330897
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 4-(tert-butylamino)quinazoline-2-carboxylate
SMILESCCOC(=O)c1nc(NC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-5-20-14(19)13-16-11-9-7-6-8-10(11)12(17-13)18-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,17,18)
InChIKeyFTQWNIXCYZUMFT-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(tert-butylamino)quinazoline-2-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-(tert-butylamino)quinazoline-2-carboxylate?
The IUPAC name of ethyl 4-(tert-butylamino)quinazoline-2-carboxylate (CID 5330897) is ethyl 4-(tert-butylamino)quinazoline-2-carboxylate.
What is the SMILES notation for ethyl 4-(tert-butylamino)quinazoline-2-carboxylate?
The canonical SMILES for ethyl 4-(tert-butylamino)quinazoline-2-carboxylate is CCOC(=O)c1nc(NC(C)(C)C)c2ccccc2n1.
What is the InChIKey of ethyl 4-(tert-butylamino)quinazoline-2-carboxylate?
The InChIKey is FTQWNIXCYZUMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-20-14(19)13-16-11-9-7-6-8-10(11)12(17-13)18-15(2,3)4/h6-9H,5H2,1-4H3,(H,16,17,18).
What are the key properties of ethyl 4-(tert-butylamino)quinazoline-2-carboxylate?
ethyl 4-(tert-butylamino)quinazoline-2-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(tert-butylamino)quinazoline-2-carboxylate is sourced from PubChem (CID 5330897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).