7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide

C20H16FN3O2 — CID 56848440

IUPAC7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide
SMILESCOc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c1-12-16-7-6-13(10-22)9-17(16)24-20(26-2)18(12)19(25)23-11-14-4-3-5-15(21)8-14/h3-9H,11H2,1-2H3,(H,23,25)
InChIKeyJUJHLMJOXWACQO-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.49
Rot. Bonds4

About 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide

7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide (PubChem CID 56848440) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide
PubChem CID56848440
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide
SMILESCOc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H16FN3O2/c1-12-16-7-6-13(10-22)9-17(16)24-20(26-2)18(12)19(25)23-11-14-4-3-5-15(21)8-14/h3-9H,11H2,1-2H3,(H,23,25)
InChIKeyJUJHLMJOXWACQO-UHFFFAOYSA-N
XLogP3.49
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide?
The IUPAC name of 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide (CID 56848440) is 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide.
What is the SMILES notation for 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide?
The canonical SMILES for 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide is COc1nc2cc(C#N)ccc2c(C)c1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide?
The InChIKey is JUJHLMJOXWACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-16-7-6-13(10-22)9-17(16)24-20(26-2)18(12)19(25)23-11-14-4-3-5-15(21)8-14/h3-9H,11H2,1-2H3,(H,23,25).
What are the key properties of 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide?
7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-N-[(3-fluorophenyl)methyl]-2-methoxy-4-methylquinoline-3-carboxamide is sourced from PubChem (CID 56848440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).