N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C23H18N4O3 — CID 4306797

IUPACN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(O)c(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O3/c1-30-17-8-9-22(28)16(11-17)14-25-27-23(29)19-12-21(15-5-4-10-24-13-15)26-20-7-3-2-6-18(19)20/h2-14,28H,1H3,(H,27,29)
InChIKeyXFALLULRYGSZIG-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.77
Rot. Bonds5

About N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4306797) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4306797
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1ccc(O)c(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O3/c1-30-17-8-9-22(28)16(11-17)14-25-27-23(29)19-12-21(15-5-4-10-24-13-15)26-20-7-3-2-6-18(19)20/h2-14,28H,1H3,(H,27,29)
InChIKeyXFALLULRYGSZIG-UHFFFAOYSA-N
XLogP3.77
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 135781971
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 4306797) is N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is COc1ccc(O)c(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XFALLULRYGSZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-17-8-9-22(28)16(11-17)14-25-27-23(29)19-12-21(15-5-4-10-24-13-15)26-20-7-3-2-6-18(19)20/h2-14,28H,1H3,(H,27,29).
What are the key properties of N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4306797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).