2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide

C21H21FN2O3 — CID 42750246

IUPAC2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O3/c1-4-9-23-21(25)17-12-19(24-18-8-5-13(22)10-16(17)18)15-7-6-14(26-2)11-20(15)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,23,25)
InChIKeyDANFGJMPWXUYHC-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.20
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide (PubChem CID 42750246) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
PubChem CID42750246
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccc(F)cc12
InChIInChI=1S/C21H21FN2O3/c1-4-9-23-21(25)17-12-19(24-18-8-5-13(22)10-16(17)18)15-7-6-14(26-2)11-20(15)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,23,25)
InChIKeyDANFGJMPWXUYHC-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
CID 3967008
2-(2,4-dimethoxyphenyl)-N-(3-fluorophenyl)quinoline-4-carboxamide
CID 1000946
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
2-(2,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-6-methylquinoline-4-carboxamide
CID 42749987
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide (CID 42750246) is 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide is CCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccc(F)cc12.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide?
The InChIKey is DANFGJMPWXUYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-4-9-23-21(25)17-12-19(24-18-8-5-13(22)10-16(17)18)15-7-6-14(26-2)11-20(15)27-3/h5-8,10-12H,4,9H2,1-3H3,(H,23,25).
What are the key properties of 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 42750246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).