2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

C18H14N4O2S — CID 28855950

IUPAC2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc(Nc2cccc3cccnc23)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C18H14N4O2S/c1-9-13-16(20-10(2)21-17(13)25-15(9)18(23)24)22-12-7-3-5-11-6-4-8-19-14(11)12/h3-8H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyYEPMILNNKIPABY-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.30
Rot. Bonds3

About 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid

2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 28855950) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID28855950
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
SMILESCc1nc(Nc2cccc3cccnc23)c2c(C)c(C(=O)O)sc2n1
InChIInChI=1S/C18H14N4O2S/c1-9-13-16(20-10(2)21-17(13)25-15(9)18(23)24)22-12-7-3-5-11-6-4-8-19-14(11)12/h3-8H,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyYEPMILNNKIPABY-UHFFFAOYSA-N
XLogP4.30
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-hydroxy-5-methylanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28856054
4-(3-bromoanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855959
4-(5-chloro-2-methoxyanilino)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28856101
4-(2,3-dimethylanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855419
5-amino-6-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 81447920
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
N-(2-hydrazinyl-5-methylpyrimidin-4-yl)quinolin-8-amine
CID 80926155
8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
4-(azepan-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28854888

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid (CID 28855950) is 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is Cc1nc(Nc2cccc3cccnc23)c2c(C)c(C(=O)O)sc2n1.
What is the InChIKey of 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is YEPMILNNKIPABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-9-13-16(20-10(2)21-17(13)25-15(9)18(23)24)22-12-7-3-5-11-6-4-8-19-14(11)12/h3-8H,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid?
2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 350.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(quinolin-8-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 28855950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).