(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C23H21N3OS — CID 1442875

IUPAC(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc5C4)sc3nc2c1
InChIInChI=1S/C23H21N3OS/c1-13-9-14(2)17-11-18-20(24)21(28-22(18)25-19(17)10-13)23(27)26-8-7-15-5-3-4-6-16(15)12-26/h3-6,9-11H,7-8,12,24H2,1-2H3
InChIKeyADDHIHGHWRMLFA-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.85
Rot. Bonds1

About (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 1442875) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID1442875
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc5C4)sc3nc2c1
InChIInChI=1S/C23H21N3OS/c1-13-9-14(2)17-11-18-20(24)21(28-22(18)25-19(17)10-13)23(27)26-8-7-15-5-3-4-6-16(15)12-26/h3-6,9-11H,7-8,12,24H2,1-2H3
InChIKeyADDHIHGHWRMLFA-UHFFFAOYSA-N
XLogP4.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 1442875) is (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cc1cc(C)c2cc3c(N)c(C(=O)N4CCc5ccccc5C4)sc3nc2c1.
What is the InChIKey of (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is ADDHIHGHWRMLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-13-9-14(2)17-11-18-20(24)21(28-22(18)25-19(17)10-13)23(27)26-8-7-15-5-3-4-6-16(15)12-26/h3-6,9-11H,7-8,12,24H2,1-2H3.
What are the key properties of (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 387.51 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,7-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 1442875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).