(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone

C19H19N3OS — CID 26987116

IUPAC(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone
SMILESCCc1nc2sc(C(=O)c3ccccn3)c(N)c2c2c1CCCC2
InChIInChI=1S/C19H19N3OS/c1-2-13-11-7-3-4-8-12(11)15-16(20)18(24-19(15)22-13)17(23)14-9-5-6-10-21-14/h5-6,9-10H,2-4,7-8,20H2,1H3
InChIKeyBYQAKFRKYQAPTC-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.95
Rot. Bonds3

About (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone

(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone (PubChem CID 26987116) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone
PubChem CID26987116
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone
SMILESCCc1nc2sc(C(=O)c3ccccn3)c(N)c2c2c1CCCC2
InChIInChI=1S/C19H19N3OS/c1-2-13-11-7-3-4-8-12(11)15-16(20)18(24-19(15)22-13)17(23)14-9-5-6-10-21-14/h5-6,9-10H,2-4,7-8,20H2,1H3
InChIKeyBYQAKFRKYQAPTC-UHFFFAOYSA-N
XLogP3.95
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 7366085
1-amino-N,N,5-triethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 770116
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
ethyl 1-amino-5-propyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 914223
(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone
CID 1385603
propan-2-yl 1-amino-5-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 23475241
6-amino-8-pyridin-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxamide
CID 178081759
1-amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 930416
3,6-diamino-2-(pyridine-2-carbonyl)-4-thiophen-3-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 23802489
3-amino-N-[2-(3-hydroxy-4-methylphenyl)ethyl]-8-propyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carboxamide
CID 170384113
1-amino-5-morpholin-4-yl-N-pyridin-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 2984911
2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
CID 170860038

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone?
The IUPAC name of (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone (CID 26987116) is (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone is CCc1nc2sc(C(=O)c3ccccn3)c(N)c2c2c1CCCC2.
What is the InChIKey of (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone?
The InChIKey is BYQAKFRKYQAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-13-11-7-3-4-8-12(11)15-16(20)18(24-19(15)22-13)17(23)14-9-5-6-10-21-14/h5-6,9-10H,2-4,7-8,20H2,1H3.
What are the key properties of (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone?
(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 26987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).