(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

C21H20N2O5 — CID 7268859

IUPAC(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1
InChIInChI=1S/C21H20N2O5/c1-27-14-6-4-13(5-7-14)22-21(26)15-11-19(25)23-16-9-12(10-17(24)20(15)16)18-3-2-8-28-18/h2-8,12,15H,9-11H2,1H3,(H,22,26)(H,23,25)/t12-,15+/m1/s1
InChIKeyQIZKQRMLLUPJQO-DOMZBBRYSA-N
MW380.40 g/mol
LogP2.76
Rot. Bonds4

About (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide

(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (PubChem CID 7268859) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
PubChem CID7268859
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1
InChIInChI=1S/C21H20N2O5/c1-27-14-6-4-13(5-7-14)22-21(26)15-11-19(25)23-16-9-12(10-17(24)20(15)16)18-3-2-8-28-18/h2-8,12,15H,9-11H2,1H3,(H,22,26)(H,23,25)/t12-,15+/m1/s1
InChIKeyQIZKQRMLLUPJQO-DOMZBBRYSA-N
XLogP2.76
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647
(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7354467
(6R,9R)-9-(furan-2-yl)-6-(2-methoxyphenyl)-N-(4-methoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 98062856
(6R,9S)-9-(furan-2-yl)-6-(2-methoxyphenyl)-N-(4-methoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepine-5-carboxamide
CID 98062860
(4S)-N-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51531802
(6S,9R)-5-acetyl-9-(furan-2-yl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1128128
(4R,7S)-7-(furan-2-yl)-4-(4-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51422772
methyl (4S,7S)-7-(furan-2-yl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1094593
4-[(6S,9S)-9-(furan-2-yl)-6-(4-methoxyphenyl)-7-oxo-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid
CID 92733058
(6R,9R)-5-benzoyl-9-(furan-2-yl)-6-(4-methoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 1011770
methyl (4R,7S)-4-(2-bromophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1305416
methyl (4S,7S)-7-(furan-2-yl)-2-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1207758

Frequently Asked Questions

What is the IUPAC name of (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The IUPAC name of (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide (CID 7268859) is (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide.
What is the SMILES notation for (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The canonical SMILES for (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is COc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1.
What is the InChIKey of (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
The InChIKey is QIZKQRMLLUPJQO-DOMZBBRYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-14-6-4-13(5-7-14)22-21(26)15-11-19(25)23-16-9-12(10-17(24)20(15)16)18-3-2-8-28-18/h2-8,12,15H,9-11H2,1H3,(H,22,26)(H,23,25)/t12-,15+/m1/s1.
What are the key properties of (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide?
(4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7R)-7-(furan-2-yl)-N-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide is sourced from PubChem (CID 7268859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).