3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H25N3OS2 — CID 59854939

IUPAC3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3C1CCCCC1
InChIInChI=1S/C22H25N3OS2/c23-18-17-16(15-10-5-11-27-15)14-9-4-8-13(12-6-2-1-3-7-12)19(14)25-22(17)28-20(18)21(24)26/h5,10-13H,1-4,6-9,23H2,(H2,24,26)
InChIKeyQVWRVEYZWLNKCN-UHFFFAOYSA-N
MW411.60 g/mol
LogP5.71
Rot. Bonds3

About 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 59854939) has the molecular formula C22H25N3OS2 and a molecular weight of 411.60 g/mol. Its IUPAC name is 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID59854939
Molecular FormulaC22H25N3OS2
Molecular Weight411.60 g/mol
Exact Mass411.14
IUPAC Name3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3C1CCCCC1
InChIInChI=1S/C22H25N3OS2/c23-18-17-16(15-10-5-11-27-15)14-9-4-8-13(12-6-2-1-3-7-12)19(14)25-22(17)28-20(18)21(24)26/h5,10-13H,1-4,6-9,23H2,(H2,24,26)
InChIKeyQVWRVEYZWLNKCN-UHFFFAOYSA-N
XLogP5.71
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.60
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 59854939) is 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3C1CCCCC1.
What is the InChIKey of 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is QVWRVEYZWLNKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS2/c23-18-17-16(15-10-5-11-27-15)14-9-4-8-13(12-6-2-1-3-7-12)19(14)25-22(17)28-20(18)21(24)26/h5,10-13H,1-4,6-9,23H2,(H2,24,26).
What are the key properties of 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 411.60 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-cyclohexyl-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 59854939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).