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

C24H23N3O2S — CID 1042903

IUPAC3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1
InChIInChI=1S/C24H23N3O2S/c1-13-9-10-14(2)17(12-13)26-23(28)22-21(25)20-19(18-8-5-11-29-18)15-6-3-4-7-16(15)27-24(20)30-22/h5,8-12H,3-4,6-7,25H2,1-2H3,(H,26,28)
InChIKeyFEEVQEIYDAQFNS-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.89
Rot. Bonds3

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

3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 1042903) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID1042903
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1
InChIInChI=1S/C24H23N3O2S/c1-13-9-10-14(2)17(12-13)26-23(28)22-21(25)20-19(18-8-5-11-29-18)15-6-3-4-7-16(15)27-24(20)30-22/h5,8-12H,3-4,6-7,25H2,1-2H3,(H,26,28)
InChIKeyFEEVQEIYDAQFNS-UHFFFAOYSA-N
XLogP5.89
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 1042903) is 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1.
What is the InChIKey of 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is FEEVQEIYDAQFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-13-9-10-14(2)17(12-13)26-23(28)22-21(25)20-19(18-8-5-11-29-18)15-6-3-4-7-16(15)27-24(20)30-22/h5,8-12H,3-4,6-7,25H2,1-2H3,(H,26,28).
What are the key properties of 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,5-dimethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 1042903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).