2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

C25H21N3O2 — CID 135781987

IUPAC2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C\c3ccccc3O)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-2-17-11-13-18(14-12-17)23-15-21(20-8-4-5-9-22(20)27-23)25(30)28-26-16-19-7-3-6-10-24(19)29/h3-16,29H,2H2,1H3,(H,28,30)/b26-16-
InChIKeyHOXRKDFZGFATPX-QQXSKIMKSA-N
MW395.46 g/mol
LogP4.93
Rot. Bonds5

About 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 135781987) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID135781987
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)N/N=C\c3ccccc3O)c3ccccc3n2)cc1
InChIInChI=1S/C25H21N3O2/c1-2-17-11-13-18(14-12-17)23-15-21(20-8-4-5-9-22(20)27-23)25(30)28-26-16-19-7-3-6-10-24(19)29/h3-16,29H,2H2,1H3,(H,28,30)/b26-16-
InChIKeyHOXRKDFZGFATPX-QQXSKIMKSA-N
XLogP4.93
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(4-ethylphenyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6874714
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 135533651
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135645959
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-(furan-3-ylmethylideneamino)-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1226426
2-(4-methylphenyl)-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933730

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 135781987) is 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is CCc1ccc(-c2cc(C(=O)N/N=C\c3ccccc3O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is HOXRKDFZGFATPX-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-2-17-11-13-18(14-12-17)23-15-21(20-8-4-5-9-22(20)27-23)25(30)28-26-16-19-7-3-6-10-24(19)29/h3-16,29H,2H2,1H3,(H,28,30)/b26-16-.
What are the key properties of 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135781987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).