ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate

C20H18N2O5 — CID 39849933

IUPACethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3ccccc3OC)cc2c1=O
InChIInChI=1S/C20H18N2O5/c1-3-27-20(25)15-11-21-16-9-8-12(10-14(16)18(15)23)22-19(24)13-6-4-5-7-17(13)26-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBNDRAKUFEVMAOD-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.97
Rot. Bonds5

About ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 39849933) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
PubChem CID39849933
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Nameethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ccc(NC(=O)c3ccccc3OC)cc2c1=O
InChIInChI=1S/C20H18N2O5/c1-3-27-20(25)15-11-21-16-9-8-12(10-14(16)18(15)23)22-19(24)13-6-4-5-7-17(13)26-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBNDRAKUFEVMAOD-UHFFFAOYSA-N
XLogP2.97
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
ethyl 4-oxo-6-[(2-phenylquinoline-4-carbonyl)amino]-1H-quinoline-3-carboxylate
CID 39850128
ethyl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate
CID 507323
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
ethyl 4-oxo-6-(trifluoromethylamino)-1H-quinoline-3-carboxylate
CID 162518104
ethyl 4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylate
CID 155478923
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
ethyl 6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39849905
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
ethyl 5-[(2-methoxybenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326534

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate (CID 39849933) is ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2ccc(NC(=O)c3ccccc3OC)cc2c1=O.
What is the InChIKey of ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is BNDRAKUFEVMAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-27-20(25)15-11-21-16-9-8-12(10-14(16)18(15)23)22-19(24)13-6-4-5-7-17(13)26-2/h4-11H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-methoxybenzoyl)amino]-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 39849933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).