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

C24H21N3O3S — CID 3164854

IUPAC7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccsc2)C2=C(CC(c3ccco3)CC2=O)N1
InChIInChI=1S/C24H21N3O3S/c1-14-21(24(29)27-20-6-2-3-8-25-20)22(15-7-10-31-13-15)23-17(26-14)11-16(12-18(23)28)19-5-4-9-30-19/h2-10,13,16,22,26H,11-12H2,1H3,(H,25,27,29)
InChIKeyMVSWUQUXAJXQLG-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.74
Rot. Bonds4

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

7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3164854) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3164854
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccsc2)C2=C(CC(c3ccco3)CC2=O)N1
InChIInChI=1S/C24H21N3O3S/c1-14-21(24(29)27-20-6-2-3-8-25-20)22(15-7-10-31-13-15)23-17(26-14)11-16(12-18(23)28)19-5-4-9-30-19/h2-10,13,16,22,26H,11-12H2,1H3,(H,25,27,29)
InChIKeyMVSWUQUXAJXQLG-UHFFFAOYSA-N
XLogP4.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3164854) is 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccsc2)C2=C(CC(c3ccco3)CC2=O)N1.
What is the InChIKey of 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MVSWUQUXAJXQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-14-21(24(29)27-20-6-2-3-8-25-20)22(15-7-10-31-13-15)23-17(26-14)11-16(12-18(23)28)19-5-4-9-30-19/h2-10,13,16,22,26H,11-12H2,1H3,(H,25,27,29).
What are the key properties of 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-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 7-(furan-2-yl)-2-methyl-5-oxo-N-pyridin-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3164854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).