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

C20H17N5O2S — CID 58056090

IUPAC2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
InChIInChI=1S/C20H17N5O2S/c1-27-16-8-14-11(3-2-6-21-14)7-15(16)24-19(26)13-10-28-17-9-22-20(25-18(13)17)23-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyJFKRMJRQGVELFG-UHFFFAOYSA-N
MW391.46 g/mol
LogP4.07
Rot. Bonds5

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

2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056090) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056090
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12
InChIInChI=1S/C20H17N5O2S/c1-27-16-8-14-11(3-2-6-21-14)7-15(16)24-19(26)13-10-28-17-9-22-20(25-18(13)17)23-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyJFKRMJRQGVELFG-UHFFFAOYSA-N
XLogP4.07
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056090) is 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12.
What is the InChIKey of 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is JFKRMJRQGVELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c1-27-16-8-14-11(3-2-6-21-14)7-15(16)24-19(26)13-10-28-17-9-22-20(25-18(13)17)23-12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).