(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone

C19H17BrN2OS — CID 1385603

IUPAC(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone
SMILESCc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2
InChIInChI=1S/C19H17BrN2OS/c1-10-13-7-2-3-8-14(13)15-16(21)18(24-19(15)22-10)17(23)11-5-4-6-12(20)9-11/h4-6,9H,2-3,7-8,21H2,1H3
InChIKeyWGJJGZQDEMXPNO-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.06
Rot. Bonds2

About (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone

(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone (PubChem CID 1385603) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone.

Molecular Properties

Compound Name(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone
PubChem CID1385603
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC Name(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone
SMILESCc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2
InChIInChI=1S/C19H17BrN2OS/c1-10-13-7-2-3-8-14(13)15-16(21)18(24-19(15)22-10)17(23)11-5-4-6-12(20)9-11/h4-6,9H,2-3,7-8,21H2,1H3
InChIKeyWGJJGZQDEMXPNO-UHFFFAOYSA-N
XLogP5.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone with MolForge

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Related Compounds

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(3-bromophenyl)methanone
CID 23823851
2-amino-1-(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)ethanone
CID 170860038
3-amino-2-(3-bromobenzoyl)-4-methyl-7H-thieno[2,3-b]pyridin-6-one
CID 4579452
2-(3-amino-2-benzoyl-4,6-dimethylthieno[2,3-b]pyridin-5-yl)-1-(4-bromophenyl)ethanone
CID 4265083
(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-pyridin-2-ylmethanone
CID 26987116
ethyl 1-amino-5-phenyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 981016
2-[3-amino-2-(4-chlorobenzoyl)-4,6-dimethylthieno[2,3-b]pyridin-5-yl]-1-(4-bromophenyl)ethanone
CID 23856806
1-amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide
CID 930416
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
ethyl 3-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 1390732
1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
CID 7366085
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone?
The IUPAC name of (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone (CID 1385603) is (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone.
What is the SMILES notation for (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone?
The canonical SMILES for (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone is Cc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2.
What is the InChIKey of (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone?
The InChIKey is WGJJGZQDEMXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-10-13-7-2-3-8-14(13)15-16(21)18(24-19(15)22-10)17(23)11-5-4-6-12(20)9-11/h4-6,9H,2-3,7-8,21H2,1H3.
What are the key properties of (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone?
(1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone has a molecular weight of 401.33 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)-(3-bromophenyl)methanone is sourced from PubChem (CID 1385603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).