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

C24H23N3O2S — CID 4311305

IUPAC3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1
InChIInChI=1S/C24H23N3O2S/c1-2-14-9-11-15(12-10-14)26-23(28)22-21(25)20-19(18-8-5-13-29-18)16-6-3-4-7-17(16)27-24(20)30-22/h5,8-13H,2-4,6-7,25H2,1H3,(H,26,28)
InChIKeyPFPMJMAUKKGICK-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.83
Rot. Bonds4

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

3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 4311305) has the molecular formula C24H23N3O2S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID4311305
Molecular FormulaC24H23N3O2S
Molecular Weight417.53 g/mol
Exact Mass417.15
IUPAC Name3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1
InChIInChI=1S/C24H23N3O2S/c1-2-14-9-11-15(12-10-14)26-23(28)22-21(25)20-19(18-8-5-13-29-18)16-6-3-4-7-17(16)27-24(20)30-22/h5,8-13H,2-4,6-7,25H2,1H3,(H,26,28)
InChIKeyPFPMJMAUKKGICK-UHFFFAOYSA-N
XLogP5.83
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 4311305) is 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1.
What is the InChIKey of 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PFPMJMAUKKGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2S/c1-2-14-9-11-15(12-10-14)26-23(28)22-21(25)20-19(18-8-5-13-29-18)16-6-3-4-7-17(16)27-24(20)30-22/h5,8-13H,2-4,6-7,25H2,1H3,(H,26,28).
What are the key properties of 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(4-ethylphenyl)-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 5.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethylphenyl)-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4311305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).