dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate

C21H17FN2O5 — CID 4732272

IUPACdimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)nc3ccc(F)cc23)cc(C(=O)OC)c1
InChIInChI=1S/C21H17FN2O5/c1-11-6-17(16-10-14(22)4-5-18(16)23-11)19(25)24-15-8-12(20(26)28-2)7-13(9-15)21(27)29-3/h4-10H,1-3H3,(H,24,25)
InChIKeyPYGOCFNGOXCKJX-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.51
Rot. Bonds4

About dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 4732272) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID4732272
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Namedimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc(C)nc3ccc(F)cc23)cc(C(=O)OC)c1
InChIInChI=1S/C21H17FN2O5/c1-11-6-17(16-10-14(22)4-5-18(16)23-11)19(25)24-15-8-12(20(26)28-2)7-13(9-15)21(27)29-3/h4-10H,1-3H3,(H,24,25)
InChIKeyPYGOCFNGOXCKJX-UHFFFAOYSA-N
XLogP3.51
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
butyl 4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 108802532
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
3-[[4-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108802578
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]-5-iodobenzoic acid
CID 108789589
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715
5-bromo-2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzoic acid
CID 108789645
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
ethyl 2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pyridine-4-carboxylate
CID 108811140
6-fluoro-2-methyl-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732260
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate (CID 4732272) is dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cc(C)nc3ccc(F)cc23)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is PYGOCFNGOXCKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/c1-11-6-17(16-10-14(22)4-5-18(16)23-11)19(25)24-15-8-12(20(26)28-2)7-13(9-15)21(27)29-3/h4-10H,1-3H3,(H,24,25).
What are the key properties of dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 396.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 4732272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).