2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

C22H21N5O2S — CID 23734696

IUPAC2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cnc4ccccc4c3)sc2n1
InChIInChI=1S/C22H21N5O2S/c1-13-18-20(27-7-9-29-10-8-27)24-14(2)25-22(18)30-19(13)21(28)26-16-11-15-5-3-4-6-17(15)23-12-16/h3-6,11-12H,7-10H2,1-2H3,(H,26,28)
InChIKeyJCKDDPKTUUKPBV-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.95
Rot. Bonds3

About 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide

2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23734696) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23734696
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cnc4ccccc4c3)sc2n1
InChIInChI=1S/C22H21N5O2S/c1-13-18-20(27-7-9-29-10-8-27)24-14(2)25-22(18)30-19(13)21(28)26-16-11-15-5-3-4-6-17(15)23-12-16/h3-6,11-12H,7-10H2,1-2H3,(H,26,28)
InChIKeyJCKDDPKTUUKPBV-UHFFFAOYSA-N
XLogP3.95
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 23734696) is 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cnc4ccccc4c3)sc2n1.
What is the InChIKey of 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JCKDDPKTUUKPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-13-18-20(27-7-9-29-10-8-27)24-14(2)25-22(18)30-19(13)21(28)26-16-11-15-5-3-4-6-17(15)23-12-16/h3-6,11-12H,7-10H2,1-2H3,(H,26,28).
What are the key properties of 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide?
2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23734696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).