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

C20H19N5O3S — CID 58056119

IUPAC2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCO)nc12
InChIInChI=1S/C20H19N5O3S/c1-25(6-7-26)20-22-10-17-18(24-20)13(11-29-17)19(27)23-15-8-12-4-3-5-21-14(12)9-16(15)28-2/h3-5,8-11,26H,6-7H2,1-2H3,(H,23,27)
InChIKeyBPTXXXCWMKGAFJ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.93
Rot. Bonds6

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

2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056119) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056119
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCO)nc12
InChIInChI=1S/C20H19N5O3S/c1-25(6-7-26)20-22-10-17-18(24-20)13(11-29-17)19(27)23-15-8-12-4-3-5-21-14(12)9-16(15)28-2/h3-5,8-11,26H,6-7H2,1-2H3,(H,23,27)
InChIKeyBPTXXXCWMKGAFJ-UHFFFAOYSA-N
XLogP2.93
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056119) is 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCO)nc12.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is BPTXXXCWMKGAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-25(6-7-26)20-22-10-17-18(24-20)13(11-29-17)19(27)23-15-8-12-4-3-5-21-14(12)9-16(15)28-2/h3-5,8-11,26H,6-7H2,1-2H3,(H,23,27).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).