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

C21H21N5O2S — CID 58056228

IUPACN-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12
InChIInChI=1S/C21H21N5O2S/c1-12(2)9-23-21-24-10-18-19(26-21)14(11-29-18)20(27)25-16-7-13-5-4-6-22-15(13)8-17(16)28-3/h4-8,10-12H,9H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyGACWRDLJSVTTSQ-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.57
Rot. Bonds6

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

N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056228) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056228
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12
InChIInChI=1S/C21H21N5O2S/c1-12(2)9-23-21-24-10-18-19(26-21)14(11-29-18)20(27)25-16-7-13-5-4-6-22-15(13)8-17(16)28-3/h4-8,10-12H,9H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyGACWRDLJSVTTSQ-UHFFFAOYSA-N
XLogP4.57
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056228) is N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(C)C)nc12.
What is the InChIKey of N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is GACWRDLJSVTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-12(2)9-23-21-24-10-18-19(26-21)14(11-29-18)20(27)25-16-7-13-5-4-6-22-15(13)8-17(16)28-3/h4-8,10-12H,9H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxyquinolin-6-yl)-2-(2-methylpropylamino)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).