(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone

C19H22N4O2S — CID 655631

IUPAC(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1
InChIInChI=1S/C19H22N4O2S/c1-3-25-13-4-5-15-12(10-13)11-14-16(20)17(26-18(14)21-15)19(24)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9,20H2,1-2H3
InChIKeyTXDMKMGDCVXDHD-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.82
Rot. Bonds3

About (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone

(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 655631) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID655631
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1
InChIInChI=1S/C19H22N4O2S/c1-3-25-13-4-5-15-12(10-13)11-14-16(20)17(26-18(14)21-15)19(24)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9,20H2,1-2H3
InChIKeyTXDMKMGDCVXDHD-UHFFFAOYSA-N
XLogP2.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 655631) is (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone is CCOc1ccc2nc3sc(C(=O)N4CCN(C)CC4)c(N)c3cc2c1.
What is the InChIKey of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is TXDMKMGDCVXDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-25-13-4-5-15-12(10-13)11-14-16(20)17(26-18(14)21-15)19(24)23-8-6-22(2)7-9-23/h4-5,10-11H,3,6-9,20H2,1-2H3.
What are the key properties of (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 370.48 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethoxythieno[2,3-b]quinolin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 655631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).