3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C19H25N3OS — CID 23887433

IUPAC3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCN(C(=O)c1sc2nc3c(cc2c1N)CCCC3)C1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-22(13-8-3-2-4-9-13)19(23)17-16(20)14-11-12-7-5-6-10-15(12)21-18(14)24-17/h11,13H,2-10,20H2,1H3
InChIKeyOWOSUGIKLYNSFN-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.16
Rot. Bonds2

About 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 23887433) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID23887433
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCN(C(=O)c1sc2nc3c(cc2c1N)CCCC3)C1CCCCC1
InChIInChI=1S/C19H25N3OS/c1-22(13-8-3-2-4-9-13)19(23)17-16(20)14-11-12-7-5-6-10-15(12)21-18(14)24-17/h11,13H,2-10,20H2,1H3
InChIKeyOWOSUGIKLYNSFN-UHFFFAOYSA-N
XLogP4.16
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 23887433) is 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CN(C(=O)c1sc2nc3c(cc2c1N)CCCC3)C1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is OWOSUGIKLYNSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-22(13-8-3-2-4-9-13)19(23)17-16(20)14-11-12-7-5-6-10-15(12)21-18(14)24-17/h11,13H,2-10,20H2,1H3.
What are the key properties of 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-N-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 23887433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).