3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C16H15N3O2S — CID 892409

IUPAC3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C16H15N3O2S/c17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5,17H2,(H2,18,20)
InChIKeyKXEGEXYCCLDULX-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.12
Rot. Bonds2

About 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 892409) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID892409
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESNC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
InChIInChI=1S/C16H15N3O2S/c17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5,17H2,(H2,18,20)
InChIKeyKXEGEXYCCLDULX-UHFFFAOYSA-N
XLogP3.12
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 892409) is 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3.
What is the InChIKey of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is KXEGEXYCCLDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c17-13-12-11(10-6-3-7-21-10)8-4-1-2-5-9(8)19-16(12)22-14(13)15(18)20/h3,6-7H,1-2,4-5,17H2,(H2,18,20).
What are the key properties of 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 892409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).