7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide

C23H24FN3O2 — CID 31978902

IUPAC7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C23H24FN3O2/c1-4-11-27(14-22(28)26-20-8-6-5-7-15(20)2)23(29)19-12-17-9-10-18(24)13-21(17)25-16(19)3/h5-10,12-13H,4,11,14H2,1-3H3,(H,26,28)
InChIKeyGWEQWSJAVCKMEW-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.48
Rot. Bonds6

About 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide

7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide (PubChem CID 31978902) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
PubChem CID31978902
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C23H24FN3O2/c1-4-11-27(14-22(28)26-20-8-6-5-7-15(20)2)23(29)19-12-17-9-10-18(24)13-21(17)25-16(19)3/h5-10,12-13H,4,11,14H2,1-3H3,(H,26,28)
InChIKeyGWEQWSJAVCKMEW-UHFFFAOYSA-N
XLogP4.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 55388510
N-ethyl-7-fluoro-2-methyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 46550538
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43066610
2,4-difluoro-N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-4-oxobutyl]benzamide
CID 38692816
5-bromo-2-hydroxy-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 112790012
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192837
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 24524251
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
7-fluoro-2-methyl-N-(2-propoxyphenyl)quinoline-3-carboxamide
CID 46808171
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide (CID 31978902) is 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc2ccc(F)cc2nc1C.
What is the InChIKey of 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide?
The InChIKey is GWEQWSJAVCKMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-4-11-27(14-22(28)26-20-8-6-5-7-15(20)2)23(29)19-12-17-9-10-18(24)13-21(17)25-16(19)3/h5-10,12-13H,4,11,14H2,1-3H3,(H,26,28).
What are the key properties of 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide?
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide is sourced from PubChem (CID 31978902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).