2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

C19H17N5O3S — CID 58056114

IUPAC2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12
InChIInChI=1S/C19H17N5O3S/c1-27-15-8-13-11(3-2-4-20-13)7-14(15)23-18(26)12-10-28-16-9-22-19(21-5-6-25)24-17(12)16/h2-4,7-10,25H,5-6H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyLJCSOVSRKPFJJG-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide

2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056114) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056114
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC Name2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12
InChIInChI=1S/C19H17N5O3S/c1-27-15-8-13-11(3-2-4-20-13)7-14(15)23-18(26)12-10-28-16-9-22-19(21-5-6-25)24-17(12)16/h2-4,7-10,25H,5-6H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyLJCSOVSRKPFJJG-UHFFFAOYSA-N
XLogP2.90
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056114) is 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCO)nc12.
What is the InChIKey of 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is LJCSOVSRKPFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-27-15-8-13-11(3-2-4-20-13)7-14(15)23-18(26)12-10-28-16-9-22-19(21-5-6-25)24-17(12)16/h2-4,7-10,25H,5-6H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).