6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide

C22H19N3O2 — CID 46349002

IUPAC6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3ccc(C)o3)c2c1
InChIInChI=1S/C22H19N3O2/c1-14-6-9-19-17(11-14)18(12-21(25-19)20-5-3-4-10-23-20)22(26)24-13-16-8-7-15(2)27-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeySBXUKHPTLQYAND-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.44
Rot. Bonds4

About 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide

6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 46349002) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID46349002
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3ccc(C)o3)c2c1
InChIInChI=1S/C22H19N3O2/c1-14-6-9-19-17(11-14)18(12-21(25-19)20-5-3-4-10-23-20)22(26)24-13-16-8-7-15(2)27-16/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeySBXUKHPTLQYAND-UHFFFAOYSA-N
XLogP4.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 46349002) is 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCc3ccc(C)o3)c2c1.
What is the InChIKey of 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is SBXUKHPTLQYAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-6-9-19-17(11-14)18(12-21(25-19)20-5-3-4-10-23-20)22(26)24-13-16-8-7-15(2)27-16/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide?
6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46349002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).