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

C23H18FN3O4 — CID 17016316

IUPACethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)c3c[nH]c4ccc(F)cc4c3=O)c2c1
InChIInChI=1S/C23H18FN3O4/c1-3-31-23(30)13-4-6-19-15(9-13)20(8-12(2)26-19)27-22(29)17-11-25-18-7-5-14(24)10-16(18)21(17)28/h4-11H,3H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyHESSJRXDUYARBP-UHFFFAOYSA-N
MW419.41 g/mol
LogP3.95
Rot. Bonds4

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

ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate (PubChem CID 17016316) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
PubChem CID17016316
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Nameethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)c3c[nH]c4ccc(F)cc4c3=O)c2c1
InChIInChI=1S/C23H18FN3O4/c1-3-31-23(30)13-4-6-19-15(9-13)20(8-12(2)26-19)27-22(29)17-11-25-18-7-5-14(24)10-16(18)21(17)28/h4-11H,3H2,1-2H3,(H,25,28)(H,26,27,29)
InChIKeyHESSJRXDUYARBP-UHFFFAOYSA-N
XLogP3.95
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate with MolForge

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Related Compounds

N-(2,6-dimethylquinolin-4-yl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831819
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
CID 108811140
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
7-chloro-1-ethyl-N-(6-fluoro-2-methylquinolin-4-yl)-8-methyl-4-oxoquinoline-3-carboxamide
CID 43860486
ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016283
ethyl 3-benzoyl-1H-indole-5-carboxylate
CID 10589798
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate (CID 17016316) is ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3c[nH]c4ccc(F)cc4c3=O)c2c1.
What is the InChIKey of ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate?
The InChIKey is HESSJRXDUYARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-3-31-23(30)13-4-6-19-15(9-13)20(8-12(2)26-19)27-22(29)17-11-25-18-7-5-14(24)10-16(18)21(17)28/h4-11H,3H2,1-2H3,(H,25,28)(H,26,27,29).
What are the key properties of ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate?
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate has a molecular weight of 419.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 17016316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).