(4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C24H21N3O3S — CID 51452587

About (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 51452587) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 51452587
• Molecular Formula: C24H21N3O3S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.13
• IUPAC Name: (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@H](c3ccco3)CC2=O)N1
• InChI: InChI=1S/C24H21N3O3S/c1-14-21(24(29)27-20-8-2-3-9-25-20)23(19-7-5-11-31-19)22-16(26-14)12-15(13-17(22)28)18-6-4-10-30-18/h2-11,15,23,26H,12-13H2,1H3,(H,25,27,29)/t15-,23-/m0/s1
• InChIKey: HZUAYVGPDYOJFN-WNSKOXEYSA-N
• XLogP: 4.74
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 51452587) is (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@H](c3ccco3)CC2=O)N1.

What is the InChIKey of (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is HZUAYVGPDYOJFN-WNSKOXEYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-14-21(24(29)27-20-8-2-3-9-25-20)23(19-7-5-11-31-19)22-16(26-14)12-15(13-17(22)28)18-6-4-10-30-18/h2-11,15,23,26H,12-13H2,1H3,(H,25,27,29)/t15-,23-/m0/s1.

What are the key properties of (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

(4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7S)-7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51452587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).