(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C21H18N2O4 — CID 29159336

IUPAC(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc1
InChIInChI=1S/C21H18N2O4/c1-12-4-6-14(7-5-12)22-20(25)16-11-15-17(23-21(16)26)9-13(10-18(15)24)19-3-2-8-27-19/h2-8,11,13H,9-10H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyUJDVMCDFSIZCGB-CYBMUJFWSA-N
MW362.39 g/mol
LogP3.44
Rot. Bonds3

About (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 29159336) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID29159336
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc1
InChIInChI=1S/C21H18N2O4/c1-12-4-6-14(7-5-12)22-20(25)16-11-15-17(23-21(16)26)9-13(10-18(15)24)19-3-2-8-27-19/h2-8,11,13H,9-10H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyUJDVMCDFSIZCGB-CYBMUJFWSA-N
XLogP3.44
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

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
2-[4-[[(7S)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]phenyl]acetic acid
CID 95059054
N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043652
(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059052
(7S)-N-(3-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073923
(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95396798
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
(7R)-7-methyl-2,5-dioxo-N-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95554626
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 29159336) is (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc1.
What is the InChIKey of (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is UJDVMCDFSIZCGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-12-4-6-14(7-5-12)22-20(25)16-11-15-17(23-21(16)26)9-13(10-18(15)24)19-3-2-8-27-19/h2-8,11,13H,9-10H2,1H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 29159336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).