(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone

C18H19N3OS — CID 43812047

IUPAC(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C
InChIInChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3
InChIKeyBSFKFHGQKQBZIZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.88
Rot. Bonds1

About (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone

(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 43812047) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID43812047
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C
InChIInChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3
InChIKeyBSFKFHGQKQBZIZ-UHFFFAOYSA-N
XLogP3.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (CID 43812047) is (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is Cc1cc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2cc1C.
What is the InChIKey of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is BSFKFHGQKQBZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-10-7-12-9-13-15(19)16(18(22)21-5-3-4-6-21)23-17(13)20-14(12)8-11(10)2/h7-9H,3-6,19H2,1-2H3.
What are the key properties of (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
(3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 325.44 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6,7-dimethylthieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 43812047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).