(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone

C20H23N3OS — CID 1442782

IUPAC(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
SMILESCc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1C
InChIInChI=1S/C20H23N3OS/c1-12-7-8-14-11-15-16(21)18(25-19(15)22-17(14)13(12)2)20(24)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,21H2,1-2H3
InChIKeyBROGAPCKTHNFDR-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.66
Rot. Bonds1

About (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone

(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone (PubChem CID 1442782) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
PubChem CID1442782
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone
SMILESCc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1C
InChIInChI=1S/C20H23N3OS/c1-12-7-8-14-11-15-16(21)18(25-19(15)22-17(14)13(12)2)20(24)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,21H2,1-2H3
InChIKeyBROGAPCKTHNFDR-UHFFFAOYSA-N
XLogP4.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone?
The IUPAC name of (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone (CID 1442782) is (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone.
What is the SMILES notation for (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone?
The canonical SMILES for (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone is Cc1ccc2cc3c(N)c(C(=O)N4CCCCCC4)sc3nc2c1C.
What is the InChIKey of (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone?
The InChIKey is BROGAPCKTHNFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12-7-8-14-11-15-16(21)18(25-19(15)22-17(14)13(12)2)20(24)23-9-5-3-4-6-10-23/h7-8,11H,3-6,9-10,21H2,1-2H3.
What are the key properties of (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone?
(3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone has a molecular weight of 353.49 g/mol, XLogP of 4.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,8-dimethylthieno[2,3-b]quinolin-2-yl)-(azepan-1-yl)methanone is sourced from PubChem (CID 1442782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).