2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate

C26H27N3O4S — CID 22434649

IUPAC2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1
InChIInChI=1S/C26H27N3O4S/c1-4-29(5-2)12-13-33-26(31)17-6-8-20(9-7-17)27-24(30)23-16-19-14-18-15-21(32-3)10-11-22(18)28-25(19)34-23/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,30)
InChIKeyJDCAVGRVSKELJO-UHFFFAOYSA-N
MW477.59 g/mol
LogP5.21
Rot. Bonds9

About 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate

2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate (PubChem CID 22434649) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
PubChem CID22434649
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC Name2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate
SMILESCCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1
InChIInChI=1S/C26H27N3O4S/c1-4-29(5-2)12-13-33-26(31)17-6-8-20(9-7-17)27-24(30)23-16-19-14-18-15-21(32-3)10-11-22(18)28-25(19)34-23/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,30)
InChIKeyJDCAVGRVSKELJO-UHFFFAOYSA-N
XLogP5.21
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate 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-methyl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 56596228
4-[[[(1R)-1-carboxyethyl]-[6-[4-(diaminomethylideneamino)benzoyl]oxyquinoline-2-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 71504625
4-[[Carboxymethyl-[6-[4-(diaminomethylideneamino)benzoyl]oxyquinoline-2-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 71516624
(3-Amino-6-ethoxy-thieno[2,3-b]quinolin-2-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 655631
Ethyl 2-[(4-acetylanilino)carbonyl]-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 990684
[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-cyclopropyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 4180538
N-butan-2-yl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 5046601
N-butyl-7-methoxy-N-methyl-2-thieno[2,3-b]quinolinecarboxamide
CID 9550196

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The IUPAC name of 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate (CID 22434649) is 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate is CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3s2)cc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
The InChIKey is JDCAVGRVSKELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-4-29(5-2)12-13-33-26(31)17-6-8-20(9-7-17)27-24(30)23-16-19-14-18-15-21(32-3)10-11-22(18)28-25(19)34-23/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,27,30).
What are the key properties of 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate?
2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate has a molecular weight of 477.59 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-[(6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]benzoate is sourced from PubChem (CID 22434649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).