4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile

C18H14FN3O2 — CID 22646515

IUPAC4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
SMILESCOc1cc2nccc(Nc3cc(O)c(C)cc3F)c2cc1C#N
InChIInChI=1S/C18H14FN3O2/c1-10-5-13(19)16(7-17(10)23)22-14-3-4-21-15-8-18(24-2)11(9-20)6-12(14)15/h3-8,23H,1-2H3,(H,21,22)
InChIKeyGNFLQOZYHWBHGM-UHFFFAOYSA-N
MW323.33 g/mol
LogP4.01
Rot. Bonds3

About 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile

4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile (PubChem CID 22646515) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
PubChem CID22646515
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
SMILESCOc1cc2nccc(Nc3cc(O)c(C)cc3F)c2cc1C#N
InChIInChI=1S/C18H14FN3O2/c1-10-5-13(19)16(7-17(10)23)22-14-3-4-21-15-8-18(24-2)11(9-20)6-12(14)15/h3-8,23H,1-2H3,(H,21,22)
InChIKeyGNFLQOZYHWBHGM-UHFFFAOYSA-N
XLogP4.01
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile?
The IUPAC name of 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile (CID 22646515) is 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile.
What is the SMILES notation for 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile?
The canonical SMILES for 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile is COc1cc2nccc(Nc3cc(O)c(C)cc3F)c2cc1C#N.
What is the InChIKey of 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile?
The InChIKey is GNFLQOZYHWBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-10-5-13(19)16(7-17(10)23)22-14-3-4-21-15-8-18(24-2)11(9-20)6-12(14)15/h3-8,23H,1-2H3,(H,21,22).
What are the key properties of 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile?
4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile has a molecular weight of 323.33 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile is sourced from PubChem (CID 22646515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).