4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide

C18H17FN4O3 — CID 53326697

IUPAC4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide
SMILESCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C18H17FN4O3/c1-9-4-5-12(11(19)6-9)21-16-10-7-14(25-2)15(26-3)8-13(10)22-23-17(16)18(20)24/h4-8H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyJVOYTBSMGKEAKW-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.94
Rot. Bonds5

About 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide

4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide (PubChem CID 53326697) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide
PubChem CID53326697
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide
SMILESCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC
InChIInChI=1S/C18H17FN4O3/c1-9-4-5-12(11(19)6-9)21-16-10-7-14(25-2)15(26-3)8-13(10)22-23-17(16)18(20)24/h4-8H,1-3H3,(H2,20,24)(H,21,22)
InChIKeyJVOYTBSMGKEAKW-UHFFFAOYSA-N
XLogP2.94
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-(2-fluoro-4-methylanilino)-7-methoxycinnoline-3-carboxamide
CID 24864147
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
tert-butyl 4-[3-cyano-4-(2-fluoro-4-methylanilino)-7-methoxycinnolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 67084327
4-anilino-6,7-dimethoxyquinoline-3-carboxamide;4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide;4-(2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 158844867
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208
tert-butyl 5-amino-4-(2-fluoro-4-methylanilino)-6-methoxyindazole-1-carboxylate
CID 90757801
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide (CID 53326697) is 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide is COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1OC.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide?
The InChIKey is JVOYTBSMGKEAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-9-4-5-12(11(19)6-9)21-16-10-7-14(25-2)15(26-3)8-13(10)22-23-17(16)18(20)24/h4-8H,1-3H3,(H2,20,24)(H,21,22).
What are the key properties of 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide?
4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-6,7-dimethoxycinnoline-3-carboxamide is sourced from PubChem (CID 53326697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).