(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone

C18H19N3OS — CID 864178

IUPAC(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCN(C)CC4)sc3nc2c1
InChIInChI=1S/C18H19N3OS/c1-12-3-4-13-10-14-11-16(23-17(14)19-15(13)9-12)18(22)21-7-5-20(2)6-8-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMADJMEPEIIPEIZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.15
Rot. Bonds1

About (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone

(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone (PubChem CID 864178) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
PubChem CID864178
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
SMILESCc1ccc2cc3cc(C(=O)N4CCN(C)CC4)sc3nc2c1
InChIInChI=1S/C18H19N3OS/c1-12-3-4-13-10-14-11-16(23-17(14)19-15(13)9-12)18(22)21-7-5-20(2)6-8-21/h3-4,9-11H,5-8H2,1-2H3
InChIKeyMADJMEPEIIPEIZ-UHFFFAOYSA-N
XLogP3.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone (CID 864178) is (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone is Cc1ccc2cc3cc(C(=O)N4CCN(C)CC4)sc3nc2c1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
The InChIKey is MADJMEPEIIPEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-3-4-13-10-14-11-16(23-17(14)19-15(13)9-12)18(22)21-7-5-20(2)6-8-21/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone?
(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone has a molecular weight of 325.44 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone is sourced from PubChem (CID 864178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).