(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

C19H16N2O4S — CID 95397522

IUPAC(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1C[C@@H](c2cccs2)Cc2[nH]c(=O)c(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C19H16N2O4S/c22-16-8-11(17-4-2-6-26-17)7-15-13(16)9-14(19(24)21-15)18(23)20-10-12-3-1-5-25-12/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyFPDNZNVHCGQKIL-NSHDSACASA-N
MW368.41 g/mol
LogP2.87
Rot. Bonds4

About (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95397522) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95397522
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C1C[C@@H](c2cccs2)Cc2[nH]c(=O)c(C(=O)NCc3ccco3)cc21
InChIInChI=1S/C19H16N2O4S/c22-16-8-11(17-4-2-6-26-17)7-15-13(16)9-14(19(24)21-15)18(23)20-10-12-3-1-5-25-12/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyFPDNZNVHCGQKIL-NSHDSACASA-N
XLogP2.87
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(7R)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397523
(7R)-N-butyl-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397039
(7S)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 40900592
2,5-dioxo-N-pyridin-2-yl-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495460
(7S)-N-[(4-chlorophenyl)methyl]-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 93069126
N-(furan-2-ylmethyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 67963074
N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086134
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
2-[4-[[(7S)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]phenyl]acetic acid
CID 95059054
(7S)-N-(3-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073923
N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043652

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95397522) is (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is O=C1C[C@@H](c2cccs2)Cc2[nH]c(=O)c(C(=O)NCc3ccco3)cc21.
What is the InChIKey of (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FPDNZNVHCGQKIL-NSHDSACASA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-16-8-11(17-4-2-6-26-17)7-15-13(16)9-14(19(24)21-15)18(23)20-10-12-3-1-5-25-12/h1-6,9,11H,7-8,10H2,(H,20,23)(H,21,24)/t11-/m0/s1.
What are the key properties of (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95397522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).