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

C19H18N6O2S — CID 58056111

IUPAC2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
InChIInChI=1S/C19H18N6O2S/c1-27-15-8-13-11(3-2-5-21-13)7-14(15)24-18(26)12-10-28-16-9-23-19(22-6-4-20)25-17(12)16/h2-3,5,7-10H,4,6,20H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyDURNYYKOVXELMP-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.87
Rot. Bonds6

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

2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 58056111) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID58056111
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12
InChIInChI=1S/C19H18N6O2S/c1-27-15-8-13-11(3-2-5-21-13)7-14(15)24-18(26)12-10-28-16-9-23-19(22-6-4-20)25-17(12)16/h2-3,5,7-10H,4,6,20H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyDURNYYKOVXELMP-UHFFFAOYSA-N
XLogP2.87
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 58056111) is 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12.
What is the InChIKey of 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is DURNYYKOVXELMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-27-15-8-13-11(3-2-5-21-13)7-14(15)24-18(26)12-10-28-16-9-23-19(22-6-4-20)25-17(12)16/h2-3,5,7-10H,4,6,20H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide?
2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 58056111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).