N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

C25H26N2O4S — CID 15990514

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1OCC
InChIInChI=1S/C25H26N2O4S/c1-4-30-21-9-6-16(12-22(21)31-5-2)10-11-26-24(28)23-15-18-13-17-14-19(29-3)7-8-20(17)27-25(18)32-23/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyZGSDMGLSSFUHEQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP5.23
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15990514) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
PubChem CID15990514
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1OCC
InChIInChI=1S/C25H26N2O4S/c1-4-30-21-9-6-16(12-22(21)31-5-2)10-11-26-24(28)23-15-18-13-17-14-19(29-3)7-8-20(17)27-25(18)32-23/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28)
InChIKeyZGSDMGLSSFUHEQ-UHFFFAOYSA-N
XLogP5.23
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.56
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(3,4-dimethoxyphenyl)-4-quinolinecarboxamide
CID 1014141
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086445
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 1086033
3-amino-6-(3,4-dimethoxyphenyl)-N-(2,4-dimethylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1272771
(3-Amino-6-ethoxy-thieno[2,3-b]quinolin-2-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 655631
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2388112
6-Methoxy-2-[(4-methylpiperazin-1-yl)carbonyl]thieno[2,3-b]quinoline
CID 3240696
2-[(4-Ethylpiperazin-1-yl)carbonyl]-6-methoxythieno[2,3-b]quinoline
CID 3242523
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[(4-ethoxyphenyl)sulfanyl]quinoline-4-carboxamide
CID 4074991
N-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 4180538

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide (CID 15990514) is N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is CCOc1ccc(CCNC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is ZGSDMGLSSFUHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-4-30-21-9-6-16(12-22(21)31-5-2)10-11-26-24(28)23-15-18-13-17-14-19(29-3)7-8-20(17)27-25(18)32-23/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 450.56 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-6-methoxythieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15990514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).