6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine

C22H22N4O2S — CID 68603289

IUPAC6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine
SMILESNc1nc(OCCN2CCOCC2)c2cc(-c3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C22H22N4O2S/c23-22-24-18-6-5-16(20-14-15-3-1-2-4-19(15)29-20)13-17(18)21(25-22)28-12-9-26-7-10-27-11-8-26/h1-6,13-14H,7-12H2,(H2,23,24,25)
InChIKeyAFFLIFGCVLELSB-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.80
Rot. Bonds5

About 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine

6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine (PubChem CID 68603289) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine
PubChem CID68603289
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine
SMILESNc1nc(OCCN2CCOCC2)c2cc(-c3cc4ccccc4s3)ccc2n1
InChIInChI=1S/C22H22N4O2S/c23-22-24-18-6-5-16(20-14-15-3-1-2-4-19(15)29-20)13-17(18)21(25-22)28-12-9-26-7-10-27-11-8-26/h1-6,13-14H,7-12H2,(H2,23,24,25)
InChIKeyAFFLIFGCVLELSB-UHFFFAOYSA-N
XLogP3.80
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine?
The IUPAC name of 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine (CID 68603289) is 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine is Nc1nc(OCCN2CCOCC2)c2cc(-c3cc4ccccc4s3)ccc2n1.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine?
The InChIKey is AFFLIFGCVLELSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c23-22-24-18-6-5-16(20-14-15-3-1-2-4-19(15)29-20)13-17(18)21(25-22)28-12-9-26-7-10-27-11-8-26/h1-6,13-14H,7-12H2,(H2,23,24,25).
What are the key properties of 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine?
6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine has a molecular weight of 406.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-4-(2-morpholin-4-ylethoxy)quinazolin-2-amine is sourced from PubChem (CID 68603289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).