(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C23H21N3OS — CID 1135539

IUPAC(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc12
InChIInChI=1S/C23H21N3OS/c1-13-9-10-14(2)20-16(13)12-17-19(24)21(28-22(17)25-20)23(27)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12H,5,7,11,24H2,1-2H3
InChIKeyOQJZMEQOSWOHKH-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.24
Rot. Bonds1

About (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 1135539) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID1135539
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc12
InChIInChI=1S/C23H21N3OS/c1-13-9-10-14(2)20-16(13)12-17-19(24)21(28-22(17)25-20)23(27)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12H,5,7,11,24H2,1-2H3
InChIKeyOQJZMEQOSWOHKH-UHFFFAOYSA-N
XLogP5.24
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 1135539) is (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(C)c2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc12.
What is the InChIKey of (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is OQJZMEQOSWOHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-13-9-10-14(2)20-16(13)12-17-19(24)21(28-22(17)25-20)23(27)26-11-5-7-15-6-3-4-8-18(15)26/h3-4,6,8-10,12H,5,7,11,24H2,1-2H3.
What are the key properties of (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 387.51 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,8-dimethylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 1135539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).