N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C21H27N3O2S — CID 20857484

IUPACN-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C21H27N3O2S/c1-4-6-12-24(5-2)13-11-22-20(25)18-14-16-19(27-18)15-9-7-8-10-17(15)23(3)21(16)26/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyPBZPZRBFYOUOBJ-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.61
Rot. Bonds8

About N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20857484) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20857484
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1
InChIInChI=1S/C21H27N3O2S/c1-4-6-12-24(5-2)13-11-22-20(25)18-14-16-19(27-18)15-9-7-8-10-17(15)23(3)21(16)26/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyPBZPZRBFYOUOBJ-UHFFFAOYSA-N
XLogP3.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20857484) is N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is PBZPZRBFYOUOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-4-6-12-24(5-2)13-11-22-20(25)18-14-16-19(27-18)15-9-7-8-10-17(15)23(3)21(16)26/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20857484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).