(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C24H29NO5 — CID 171489376

IUPAC(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1(C)CCOCC1)C2
InChIInChI=1S/C24H29NO5/c1-15-18(23(27)30-24(2)8-10-29-11-9-24)14-19-20(25-15)12-16(13-21(19)26)17-6-4-5-7-22(17)28-3/h4-7,16,25H,8-14H2,1-3H3
InChIKeyLWLUHIPIOGFGLX-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.78
Rot. Bonds4

About (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 171489376) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID171489376
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCOc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1(C)CCOCC1)C2
InChIInChI=1S/C24H29NO5/c1-15-18(23(27)30-24(2)8-10-29-11-9-24)14-19-20(25-15)12-16(13-21(19)26)17-6-4-5-7-22(17)28-3/h4-7,16,25H,8-14H2,1-3H3
InChIKeyLWLUHIPIOGFGLX-UHFFFAOYSA-N
XLogP3.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Related Compounds

[(1S,5R,6R)-3-methyl-8-azatricyclo[3.2.1.03,8]octan-6-yl] (7R)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 177361112
(3-fluorophenyl)methyl (7R)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 177360860
(3-methylimidazol-4-yl)methyl (7R)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 177361096
ethane;formaldehyde;3-methylphenol;(4-methylphenyl)methyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 177361081
(3-methylimidazol-4-yl)methyl (7R)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate;3-methylphenol
CID 177361095
cyclohexyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate;2-methyl-6-nitropyridine
CID 177361187
methyl (4S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1325369
methyl (4S,7R)-4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1073780
oxan-4-yl 4-(2-amino-1,3-thiazol-5-yl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 177361173
(2,2,6,6-tetramethyloxan-4-yl) (4S,7R)-4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 171489317
propyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 5162230
cyclopentyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4217850

Frequently Asked Questions

What is the IUPAC name of (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 171489376) is (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is COc1ccccc1C1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC1(C)CCOCC1)C2.
What is the InChIKey of (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is LWLUHIPIOGFGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-15-18(23(27)30-24(2)8-10-29-11-9-24)14-19-20(25-15)12-16(13-21(19)26)17-6-4-5-7-22(17)28-3/h4-7,16,25H,8-14H2,1-3H3.
What are the key properties of (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
(4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 411.50 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyloxan-4-yl) 7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 171489376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).