4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one

C23H19N3O2 — CID 135449771

IUPAC4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\Cc1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H19N3O2/c1-16(25-15-17-9-7-8-14-24-17)21-22(27)19-12-5-6-13-20(19)26(23(21)28)18-10-3-2-4-11-18/h2-14,27H,15H2,1H3/b25-16+
InChIKeyGWZQQQWANBTMMJ-PCLIKHOPSA-N
MW369.42 g/mol
LogP4.10
Rot. Bonds4

About 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one

4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one (PubChem CID 135449771) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
PubChem CID135449771
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
SMILESC/C(=N\Cc1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
InChIInChI=1S/C23H19N3O2/c1-16(25-15-17-9-7-8-14-24-17)21-22(27)19-12-5-6-13-20(19)26(23(21)28)18-10-3-2-4-11-18/h2-14,27H,15H2,1H3/b25-16+
InChIKeyGWZQQQWANBTMMJ-PCLIKHOPSA-N
XLogP4.10
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one (CID 135449771) is 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one is C/C(=N\Cc1ccccn1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one?
The InChIKey is GWZQQQWANBTMMJ-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16(25-15-17-9-7-8-14-24-17)21-22(27)19-12-5-6-13-20(19)26(23(21)28)18-10-3-2-4-11-18/h2-14,27H,15H2,1H3/b25-16+.
What are the key properties of 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one?
4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one has a molecular weight of 369.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one is sourced from PubChem (CID 135449771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).