1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one

C23H27N3O2 — CID 135967926

IUPAC1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
SMILESCCCCCCCn1c(=O)c(/C=N/Cc2ccncc2)c(O)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-2-3-4-5-8-15-26-21-10-7-6-9-19(21)22(27)20(23(26)28)17-25-16-18-11-13-24-14-12-18/h6-7,9-14,17,27H,2-5,8,15-16H2,1H3/b25-17+
InChIKeyTVXWNTWORHVICT-KOEQRZSOSA-N
MW377.49 g/mol
LogP4.69
Rot. Bonds9

About 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one

1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one (PubChem CID 135967926) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one.

Molecular Properties

Compound Name1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
PubChem CID135967926
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one
SMILESCCCCCCCn1c(=O)c(/C=N/Cc2ccncc2)c(O)c2ccccc21
InChIInChI=1S/C23H27N3O2/c1-2-3-4-5-8-15-26-21-10-7-6-9-19(21)22(27)20(23(26)28)17-25-16-18-11-13-24-14-12-18/h6-7,9-14,17,27H,2-5,8,15-16H2,1H3/b25-17+
InChIKeyTVXWNTWORHVICT-KOEQRZSOSA-N
XLogP4.69
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(1-hexyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]thiourea
CID 135928582
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-butyl-4-hydroxy-2-oxo-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-3-carboxamide
CID 98171554
1-butyl-4-hydroxy-3-[(3-nitrophenyl)iminomethyl]quinolin-2-one
CID 135527730
1-butyl-3-chloro-4-hydroxyquinolin-2-one
CID 54705930
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54697988
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
CID 11722662
N-[(Z)-(2-fluorophenyl)methylideneamino]-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98126432
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one?
The IUPAC name of 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one (CID 135967926) is 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one.
What is the SMILES notation for 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one?
The canonical SMILES for 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one is CCCCCCCn1c(=O)c(/C=N/Cc2ccncc2)c(O)c2ccccc21.
What is the InChIKey of 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one?
The InChIKey is TVXWNTWORHVICT-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-3-4-5-8-15-26-21-10-7-6-9-19(21)22(27)20(23(26)28)17-25-16-18-11-13-24-14-12-18/h6-7,9-14,17,27H,2-5,8,15-16H2,1H3/b25-17+.
What are the key properties of 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one?
1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-hydroxy-3-(pyridin-4-ylmethyliminomethyl)quinolin-2-one is sourced from PubChem (CID 135967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).