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

C21H21N5O2S — CID 58056358

IUPACN-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)C(C)C)nc12
InChIInChI=1S/C21H21N5O2S/c1-12(2)26(3)21-23-10-18-19(25-21)14(11-29-18)20(27)24-16-8-13-6-5-7-22-15(13)9-17(16)28-4/h5-12H,1-4H3,(H,24,27)
InChIKeyRUWFLIHCRYRBBH-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.34
Rot. Bonds5

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

N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056358) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056358
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)C(C)C)nc12
InChIInChI=1S/C21H21N5O2S/c1-12(2)26(3)21-23-10-18-19(25-21)14(11-29-18)20(27)24-16-8-13-6-5-7-22-15(13)9-17(16)28-4/h5-12H,1-4H3,(H,24,27)
InChIKeyRUWFLIHCRYRBBH-UHFFFAOYSA-N
XLogP4.34
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056358) is N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)C(C)C)nc12.
What is the InChIKey of N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is RUWFLIHCRYRBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-12(2)26(3)21-23-10-18-19(25-21)14(11-29-18)20(27)24-16-8-13-6-5-7-22-15(13)9-17(16)28-4/h5-12H,1-4H3,(H,24,27).
What are the key properties of N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide?
N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-6-yl)-2-[methyl(propan-2-yl)amino]thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).