4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid

C19H18N2O4 — CID 53349929

IUPAC4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc([C@@H](C)Nc2c(C(=O)O)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O4/c1-11(12-7-9-13(25-2)10-8-12)20-17-14-5-3-4-6-15(14)21-18(22)16(17)19(23)24/h3-11H,1-2H3,(H,23,24)(H2,20,21,22)/t11-/m1/s1
InChIKeyNNGCVFWHTQEAGB-LLVKDONJSA-N
MW338.36 g/mol
LogP3.41
Rot. Bonds5

About 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid

4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 53349929) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID53349929
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCOc1ccc([C@@H](C)Nc2c(C(=O)O)c(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N2O4/c1-11(12-7-9-13(25-2)10-8-12)20-17-14-5-3-4-6-15(14)21-18(22)16(17)19(23)24/h3-11H,1-2H3,(H,23,24)(H2,20,21,22)/t11-/m1/s1
InChIKeyNNGCVFWHTQEAGB-LLVKDONJSA-N
XLogP3.41
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid with MolForge

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Related Compounds

ethyl 7-chloro-2-oxo-4-[[(1R)-1-phenylethyl]amino]-1H-quinoline-3-carboxylate
CID 92888655
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
2-fluoro-6-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 79516673
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
3-[(2-methoxycarbonyl-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole-2-carboxylic acid
CID 141443391
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
3-amino-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid
CID 115039979
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
2-oxo-4-(3-phenylpropylamino)-1H-quinoline-3-carboxylic acid
CID 53349705

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid (CID 53349929) is 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid is COc1ccc([C@@H](C)Nc2c(C(=O)O)c(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is NNGCVFWHTQEAGB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11(12-7-9-13(25-2)10-8-12)20-17-14-5-3-4-6-15(14)21-18(22)16(17)19(23)24/h3-11H,1-2H3,(H,23,24)(H2,20,21,22)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid?
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 53349929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).