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

C17H18N2O4 — CID 95396798

IUPAC(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O
InChIInChI=1S/C17H18N2O4/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeyBFMKQRAPFPZOGP-JTQLQIEISA-N
MW314.34 g/mol
LogP2.02
Rot. Bonds3

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

(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95396798) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95396798
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC(C)NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O
InChIInChI=1S/C17H18N2O4/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22)/t10-/m0/s1
InChIKeyBFMKQRAPFPZOGP-JTQLQIEISA-N
XLogP2.02
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059052
N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043652
N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086134
N-(2,4-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086153
(7S)-N-(2,5-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073950
(7S)-N-(3-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073923
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-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397522
(7R)-N-(furan-2-ylmethyl)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95397523
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95396798) is (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is CC(C)NC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O.
What is the InChIKey of (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is BFMKQRAPFPZOGP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18N2O4/c1-9(2)18-16(21)12-8-11-13(19-17(12)22)6-10(7-14(11)20)15-4-3-5-23-15/h3-5,8-10H,6-7H2,1-2H3,(H,18,21)(H,19,22)/t10-/m0/s1.
What are the key properties of (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95396798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).