4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide

C19H18FN3O2 — CID 58505056

IUPAC4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C)cc23)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-10-6-11(2)17-13(7-10)18(14(9-22-17)19(21)24)23-12-4-5-15(20)16(8-12)25-3/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyQDEXLFBXXBZYDA-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.84
Rot. Bonds4

About 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide

4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide (PubChem CID 58505056) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide
PubChem CID58505056
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C)cc23)ccc1F
InChIInChI=1S/C19H18FN3O2/c1-10-6-11(2)17-13(7-10)18(14(9-22-17)19(21)24)23-12-4-5-15(20)16(8-12)25-3/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyQDEXLFBXXBZYDA-UHFFFAOYSA-N
XLogP3.84
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
CID 11328073
6-[2-(dimethylamino)ethylsulfinyl]-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 142969697
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11156025
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide;hydrochloride
CID 67424115
2-tert-butyl-4-[3-carbamoyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinolin-6-yl]sulfanylpiperidine-1-carboxylic acid
CID 69250993
3-carbamoyl-8-methyl-4-(3-methylanilino)quinoline-6-carboxylic acid
CID 58946117
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250
ethyl 4-(3-hydroxyanilino)-6,8-dimethylquinoline-3-carboxylate;hydrochloride
CID 2790780
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide (CID 58505056) is 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3c(C)cc(C)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide?
The InChIKey is QDEXLFBXXBZYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-10-6-11(2)17-13(7-10)18(14(9-22-17)19(21)24)23-12-4-5-15(20)16(8-12)25-3/h4-9H,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide?
4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 58505056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).