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

C18H18N2O3S — CID 827712

IUPACmethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3
InChIInChI=1S/C18H18N2O3S/c1-9-7-8-12(23-9)13-10-5-3-4-6-11(10)20-17-14(13)15(19)16(24-17)18(21)22-2/h7-8H,3-6,19H2,1-2H3
InChIKeyYOCVARYEUTYSQP-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.11
Rot. Bonds2

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

methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 827712) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
PubChem CID827712
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Namemethyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3
InChIInChI=1S/C18H18N2O3S/c1-9-7-8-12(23-9)13-10-5-3-4-6-11(10)20-17-14(13)15(19)16(24-17)18(21)22-2/h7-8H,3-6,19H2,1-2H3
InChIKeyYOCVARYEUTYSQP-UHFFFAOYSA-N
XLogP4.11
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CID 827712) is methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3.
What is the InChIKey of methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is YOCVARYEUTYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-9-7-8-12(23-9)13-10-5-3-4-6-11(10)20-17-14(13)15(19)16(24-17)18(21)22-2/h7-8H,3-6,19H2,1-2H3.
What are the key properties of methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 342.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 827712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).