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

C17H17N3O2S — CID 866470

IUPAC3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCC3)o1
InChIInChI=1S/C17H17N3O2S/c1-8-6-7-11(22-8)12-9-4-2-3-5-10(9)20-17-13(12)14(18)15(23-17)16(19)21/h6-7H,2-5,18H2,1H3,(H2,19,21)
InChIKeyDBYIIROKSMZQIC-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.42
Rot. Bonds2

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

3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 866470) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID866470
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCC3)o1
InChIInChI=1S/C17H17N3O2S/c1-8-6-7-11(22-8)12-9-4-2-3-5-10(9)20-17-13(12)14(18)15(23-17)16(19)21/h6-7H,2-5,18H2,1H3,(H2,19,21)
InChIKeyDBYIIROKSMZQIC-UHFFFAOYSA-N
XLogP3.42
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 866470) is 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCC3)o1.
What is the InChIKey of 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DBYIIROKSMZQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-8-6-7-11(22-8)12-9-4-2-3-5-10(9)20-17-13(12)14(18)15(23-17)16(19)21/h6-7H,2-5,18H2,1H3,(H2,19,21).
What are the key properties of 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 866470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).