furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

C24H25NO5 — CID 69422396

IUPACfuran;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCOc1ccc(CC(=O)N2c3ccccc3C(C(=O)O)C[C@@H]2C)cc1.c1ccoc1
InChIInChI=1S/C20H21NO4.C4H4O/c1-13-11-17(20(23)24)16-5-3-4-6-18(16)21(13)19(22)12-14-7-9-15(25-2)10-8-14;1-2-4-5-3-1/h3-10,13,17H,11-12H2,1-2H3,(H,23,24);1-4H/t13-,17?;/m0./s1
InChIKeyFQWJGXNCVGLQDK-QLVYJNRTSA-N
MW407.47 g/mol
LogP4.51
Rot. Bonds4

About furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid

furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (PubChem CID 69422396) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Namefuran;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
PubChem CID69422396
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Namefuran;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
SMILESCOc1ccc(CC(=O)N2c3ccccc3C(C(=O)O)C[C@@H]2C)cc1.c1ccoc1
InChIInChI=1S/C20H21NO4.C4H4O/c1-13-11-17(20(23)24)16-5-3-4-6-18(16)21(13)19(22)12-14-7-9-15(25-2)10-8-14;1-2-4-5-3-1/h3-10,13,17H,11-12H2,1-2H3,(H,23,24);1-4H/t13-,17?;/m0./s1
InChIKeyFQWJGXNCVGLQDK-QLVYJNRTSA-N
XLogP4.51
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid with MolForge

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Related Compounds

(2S,4R)-N-(4-chlorophenyl)-N-ethyl-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 58732790
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449
N-benzyl-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 69401991
2-(4-methoxyphenoxy)-N-[(2S,4R)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212270
1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1341342
2-(4-methoxyphenoxy)-N-[1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 3313798
2-(4-methoxyphenoxy)-N-[(2R,4S)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212272
2-methyl-1-[4-(trifluoromethoxy)benzoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401928
[(2S)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 69402619
N-[2-methyl-1-(2-phenylacetyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 17067365
2-(4-methoxyphenyl)-N-[1-[3-(4-methoxyphenyl)propanoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 174482653
1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 69401406

Frequently Asked Questions

What is the IUPAC name of furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid (CID 69422396) is furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is COc1ccc(CC(=O)N2c3ccccc3C(C(=O)O)C[C@@H]2C)cc1.c1ccoc1.
What is the InChIKey of furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
The InChIKey is FQWJGXNCVGLQDK-QLVYJNRTSA-N. The full InChI is InChI=1S/C20H21NO4.C4H4O/c1-13-11-17(20(23)24)16-5-3-4-6-18(16)21(13)19(22)12-14-7-9-15(25-2)10-8-14;1-2-4-5-3-1/h3-10,13,17H,11-12H2,1-2H3,(H,23,24);1-4H/t13-,17?;/m0./s1.
What are the key properties of furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid?
furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid has a molecular weight of 407.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;(2S)-1-[2-(4-methoxyphenyl)acetyl]-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 69422396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).