N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide

C21H21FN2O3 — CID 46686523

IUPACN-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C21H21FN2O3/c1-4-26-15-7-9-20(27-5-2)19(12-15)24-21(25)17-10-13(3)23-18-11-14(22)6-8-16(17)18/h6-12H,4-5H2,1-3H3,(H,24,25)
InChIKeyNGEKDMZCLHTNOQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.73
Rot. Bonds6

About N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide

N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 46686523) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID46686523
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1
InChIInChI=1S/C21H21FN2O3/c1-4-26-15-7-9-20(27-5-2)19(12-15)24-21(25)17-10-13(3)23-18-11-14(22)6-8-16(17)18/h6-12H,4-5H2,1-3H3,(H,24,25)
InChIKeyNGEKDMZCLHTNOQ-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686426
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46686472
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108811202
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-(2,5-diethoxyphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 36665080
N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
CID 78859425
N-(2,5-diethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17462345
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide (CID 46686523) is N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is CCOc1ccc(OCC)c(NC(=O)c2cc(C)nc3cc(F)ccc23)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is NGEKDMZCLHTNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-26-15-7-9-20(27-5-2)19(12-15)24-21(25)17-10-13(3)23-18-11-14(22)6-8-16(17)18/h6-12H,4-5H2,1-3H3,(H,24,25).
What are the key properties of N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide?
N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46686523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).