6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine

C25H26N4O3S — CID 175812343

IUPAC6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
SMILES[2H]N1CCC(Oc2cc3c(Nc4cc(-c5cccs5)ccc4OC)ncnc3cc2OC)CC1
InChIInChI=1S/C25H26N4O3S/c1-30-21-6-5-16(24-4-3-11-33-24)12-20(21)29-25-18-13-23(32-17-7-9-26-10-8-17)22(31-2)14-19(18)27-15-28-25/h3-6,11-15,17,26H,7-10H2,1-2H3,(H,27,28,29)/i/hD
InChIKeyGDSWCGWGZPBAIT-DYCDLGHISA-N
MW463.58 g/mol
LogP5.25
Rot. Bonds7

About 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine

6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine (PubChem CID 175812343) has the molecular formula C25H26N4O3S and a molecular weight of 463.58 g/mol. Its IUPAC name is 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
PubChem CID175812343
Molecular FormulaC25H26N4O3S
Molecular Weight463.58 g/mol
Exact Mass463.18
IUPAC Name6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
SMILES[2H]N1CCC(Oc2cc3c(Nc4cc(-c5cccs5)ccc4OC)ncnc3cc2OC)CC1
InChIInChI=1S/C25H26N4O3S/c1-30-21-6-5-16(24-4-3-11-33-24)12-20(21)29-25-18-13-23(32-17-7-9-26-10-8-17)22(31-2)14-19(18)27-15-28-25/h3-6,11-15,17,26H,7-10H2,1-2H3,(H,27,28,29)/i/hD
InChIKeyGDSWCGWGZPBAIT-DYCDLGHISA-N
XLogP5.25
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

6-(1-deuteriopiperidin-4-yl)oxy-N-(2-ethoxy-5-thiophen-2-ylphenyl)-7-methoxyquinazolin-4-amine
CID 175812239
6-heptan-4-yloxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine
CID 167215906
1-[3-fluoro-4-[7-methoxy-4-(2-methoxy-5-thiophen-2-ylanilino)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086213
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-piperidin-4-yloxyquinazolin-4-amine;hydrochloride
CID 68906665
1-[4-[4-[5-(4-fluorophenyl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086373
1-[4-[4-[5-(1-benzofuran-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086372
1-[4-[7-methoxy-4-[2-methoxy-5-(2,3,4,5,6-pentafluorophenyl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167216070
2-fluoro-1-[4-[4-[5-(furan-2-yl)-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086190
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
6,7-dimethoxy-N-(4-phenoxy-1-benzothiophen-7-yl)quinazolin-4-amine
CID 122628532
1-[4-[4-[5-[3-(dimethylamino)-4-fluorophenyl]-2-methoxyanilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086237
1-[4-[7-methoxy-4-[2-methoxy-5-(1,2-oxazol-4-yl)anilino]quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 166086228

Frequently Asked Questions

What is the IUPAC name of 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine (CID 175812343) is 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine is [2H]N1CCC(Oc2cc3c(Nc4cc(-c5cccs5)ccc4OC)ncnc3cc2OC)CC1.
What is the InChIKey of 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
The InChIKey is GDSWCGWGZPBAIT-DYCDLGHISA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-30-21-6-5-16(24-4-3-11-33-24)12-20(21)29-25-18-13-23(32-17-7-9-26-10-8-17)22(31-2)14-19(18)27-15-28-25/h3-6,11-15,17,26H,7-10H2,1-2H3,(H,27,28,29)/i/hD.
What are the key properties of 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine?
6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine has a molecular weight of 463.58 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-deuteriopiperidin-4-yl)oxy-7-methoxy-N-(2-methoxy-5-thiophen-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 175812343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).