ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate

C20H17N3O3S — CID 44968199

IUPACethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1
InChIInChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyKRJRCFXYZBUBRL-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.74
Rot. Bonds6

About ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate

ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate (PubChem CID 44968199) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
PubChem CID44968199
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Nameethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1
InChIInChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyKRJRCFXYZBUBRL-UHFFFAOYSA-N
XLogP4.74
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate with MolForge

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Related Compounds

(5-(4-(((5-Methylfuran-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
CID 44968231
6-(3-furanyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
CID 3234850
Ethyl 5-(4-((5-methylfuran-2-yl)methylamino)quinazolin-6-yl)furan-2-carboxylate
CID 44968221
6-(3-furanyl)-N-methyl-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44968224
(5-(4-(Methyl((3-methylthiophen-2-yl)methyl)amino)quinazolin-6-yl)furan-2-yl)methanol
CID 44968230
ethyl 5-[4-[2-(1H-imidazol-5-yl)ethylamino]quinazolin-6-yl]furan-2-carboxylate
CID 44968250
5-(4-((5-Methylfuran-2-yl)methylamino)quinazolin-6-yl)furan-2-carboxylic acid
CID 46916169
(5-(4-(Thiophen-2-ylmethylamino)quinazolin-6-yl)furan-2-yl)methanol
CID 46916173
5-(4-(Thiophen-2-ylmethylamino)quinazolin-6-yl)furan-2-carboxylic acid
CID 46916174
N-ethyl-5-[4-(oxolan-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxamide
CID 46916190
Methyl 5-((quinazolin-4-ylthio)methyl)furan-2-carboxylate
CID 2607957
6-(3-furanyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
CID 44142069

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate (CID 44968199) is ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate is CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1.
What is the InChIKey of ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
The InChIKey is KRJRCFXYZBUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-25-20(24)18-8-7-17(26-18)13-5-6-16-15(10-13)19(23-12-22-16)21-11-14-4-3-9-27-14/h3-10,12H,2,11H2,1H3,(H,21,22,23).
What are the key properties of ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate?
ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-(thiophen-2-ylmethylamino)quinazolin-6-yl]furan-2-carboxylate is sourced from PubChem (CID 44968199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).