(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C18H22N4O5 — CID 97132873

IUPAC(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)n1
InChIInChI=1S/C18H22N4O5/c1-22(10-17-20-15(21-27-17)6-7-25-2)18(24)13-9-16(23)19-14-5-4-11(26-3)8-12(13)14/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyTVMNXQPAWJOVSU-ZDUSSCGKSA-N
MW374.40 g/mol
LogP1.35
Rot. Bonds7

About (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97132873) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97132873
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOCCc1noc(CN(C)C(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)n1
InChIInChI=1S/C18H22N4O5/c1-22(10-17-20-15(21-27-17)6-7-25-2)18(24)13-9-16(23)19-14-5-4-11(26-3)8-12(13)14/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,23)/t13-/m0/s1
InChIKeyTVMNXQPAWJOVSU-ZDUSSCGKSA-N
XLogP1.35
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70758337
(4R)-6-methoxy-N-methyl-N-[3-(3-methylphenoxy)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97122293
5-[[(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70783327
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
CID 91659747
N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 74244678
(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97146681
(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97155952
5-(4-fluorophenyl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrazolidine-3-carboxamide
CID 78086018
5-amino-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N,2-dimethylbenzamide
CID 120635057
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
(4R)-6-methoxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97144072
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1H-benzimidazole-2-carboxamide
CID 77085663

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97132873) is (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COCCc1noc(CN(C)C(=O)[C@H]2CC(=O)Nc3ccc(OC)cc32)n1.
What is the InChIKey of (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is TVMNXQPAWJOVSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-22(10-17-20-15(21-27-17)6-7-25-2)18(24)13-9-16(23)19-14-5-4-11(26-3)8-12(13)14/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,19,23)/t13-/m0/s1.
What are the key properties of (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97132873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).