5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid

C18H20N4O2S — CID 71268378

IUPAC5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1ccc2nc(NCCN(C)C)ncc2c1
InChIInChI=1S/C18H20N4O2S/c1-11-8-15(17(23)24)25-16(11)12-4-5-14-13(9-12)10-20-18(21-14)19-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyIHGJTDFLXROMTI-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.34
Rot. Bonds6

About 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid

5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid (PubChem CID 71268378) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid
PubChem CID71268378
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1-c1ccc2nc(NCCN(C)C)ncc2c1
InChIInChI=1S/C18H20N4O2S/c1-11-8-15(17(23)24)25-16(11)12-4-5-14-13(9-12)10-20-18(21-14)19-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,19,20,21)
InChIKeyIHGJTDFLXROMTI-UHFFFAOYSA-N
XLogP3.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid (CID 71268378) is 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1-c1ccc2nc(NCCN(C)C)ncc2c1.
What is the InChIKey of 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is IHGJTDFLXROMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-11-8-15(17(23)24)25-16(11)12-4-5-14-13(9-12)10-20-18(21-14)19-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,23,24)(H,19,20,21).
What are the key properties of 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid?
5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 356.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 71268378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).