3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide

C20H17N5O2S — CID 71181121

IUPAC3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3ccsc3C(N)=O)c2c1
InChIInChI=1S/C20H17N5O2S/c1-2-27-13-5-6-15-14(10-13)20(24-16-7-9-28-17(16)18(21)26)25-19(23-15)12-4-3-8-22-11-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,24,25)
InChIKeyGBVXKOXWMKFKOQ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.99
Rot. Bonds6

About 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide

3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide (PubChem CID 71181121) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
PubChem CID71181121
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide
SMILESCCOc1ccc2nc(-c3cccnc3)nc(Nc3ccsc3C(N)=O)c2c1
InChIInChI=1S/C20H17N5O2S/c1-2-27-13-5-6-15-14(10-13)20(24-16-7-9-28-17(16)18(21)26)25-19(23-15)12-4-3-8-22-11-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,24,25)
InChIKeyGBVXKOXWMKFKOQ-UHFFFAOYSA-N
XLogP3.99
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 89348118
2-[(6-ethoxy-2-pyrimidin-5-ylquinazolin-4-yl)amino]benzamide
CID 71180705
2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 67298170
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-methylbenzamide
CID 144501294
2-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-4-(trifluoromethoxy)benzamide
CID 71180912
2-[[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71180546
6-methoxy-2-pyridin-3-yl-N-quinolin-8-ylquinazolin-4-amine
CID 71274409
[4-(2-carbamoylanilino)-2-pyridin-3-ylquinazolin-6-yl] N-benzylcarbamate
CID 67298380
2-chloro-N-methylacetamide;2-[(6-hydroxy-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide;2-[[6-[2-(methylamino)-2-oxoethoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 159635907
2-[[6-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181238
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide (CID 71181121) is 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide is CCOc1ccc2nc(-c3cccnc3)nc(Nc3ccsc3C(N)=O)c2c1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is GBVXKOXWMKFKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-2-27-13-5-6-15-14(10-13)20(24-16-7-9-28-17(16)18(21)26)25-19(23-15)12-4-3-8-22-11-12/h3-11H,2H2,1H3,(H2,21,26)(H,23,24,25).
What are the key properties of 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide?
3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 71181121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).