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

C17H17N3O2S — CID 646704

IUPAC(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1
InChIInChI=1S/C17H17N3O2S/c1-22-11-5-4-10-8-12-14(18)15(17(21)20-6-2-3-7-20)23-16(12)19-13(10)9-11/h4-5,8-9H,2-3,6-7,18H2,1H3
InChIKeySFSHJGNPSPVNDM-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.28
Rot. Bonds2

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

(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 646704) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID646704
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone
SMILESCOc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1
InChIInChI=1S/C17H17N3O2S/c1-22-11-5-4-10-8-12-14(18)15(17(21)20-6-2-3-7-20)23-16(12)19-13(10)9-11/h4-5,8-9H,2-3,6-7,18H2,1H3
InChIKeySFSHJGNPSPVNDM-UHFFFAOYSA-N
XLogP3.28
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone (CID 646704) is (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is COc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1.
What is the InChIKey of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SFSHJGNPSPVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-22-11-5-4-10-8-12-14(18)15(17(21)20-6-2-3-7-20)23-16(12)19-13(10)9-11/h4-5,8-9H,2-3,6-7,18H2,1H3.
What are the key properties of (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone?
(3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 327.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methoxythieno[2,3-b]quinolin-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 646704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).