ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate

C19H16FN3O3 — CID 108811140

IUPACethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cc(C)nc3ccc(F)cc23)c1
InChIInChI=1S/C19H16FN3O3/c1-3-26-19(25)12-6-7-21-17(9-12)23-18(24)15-8-11(2)22-16-5-4-13(20)10-14(15)16/h4-10H,3H2,1-2H3,(H,21,23,24)
InChIKeyASJIPPLLCKUVGC-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate

ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate (PubChem CID 108811140) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
PubChem CID108811140
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Nameethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)c2cc(C)nc3ccc(F)cc23)c1
InChIInChI=1S/C19H16FN3O3/c1-3-26-19(25)12-6-7-21-17(9-12)23-18(24)15-8-11(2)22-16-5-4-13(20)10-14(15)16/h4-10H,3H2,1-2H3,(H,21,23,24)
InChIKeyASJIPPLLCKUVGC-UHFFFAOYSA-N
XLogP3.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
butyl 4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 108802532
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 4732272
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4732263
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016316
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate (CID 108811140) is ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)c2cc(C)nc3ccc(F)cc23)c1.
What is the InChIKey of ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate?
The InChIKey is ASJIPPLLCKUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-3-26-19(25)12-6-7-21-17(9-12)23-18(24)15-8-11(2)22-16-5-4-13(20)10-14(15)16/h4-10H,3H2,1-2H3,(H,21,23,24).
What are the key properties of ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate?
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 108811140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).