N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide

C30H22N4O4 — CID 135611787

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2cc3cccnc3nc2-c2ccccc2)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C30H22N4O4/c35-26-11-5-4-9-23(26)18-32-34-27(36)19-38-24-14-12-21(13-15-24)29(37)25-17-22-10-6-16-31-30(22)33-28(25)20-7-2-1-3-8-20/h1-18,35H,19H2,(H,34,36)/b32-18+
InChIKeyQCAMQRIEFFOIHD-KCSSXMTESA-N
MW502.53 g/mol
LogP4.76
Rot. Bonds8

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide (PubChem CID 135611787) has the molecular formula C30H22N4O4 and a molecular weight of 502.53 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
PubChem CID135611787
Molecular FormulaC30H22N4O4
Molecular Weight502.53 g/mol
Exact Mass502.16
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2cc3cccnc3nc2-c2ccccc2)cc1)N/N=C/c1ccccc1O
InChIInChI=1S/C30H22N4O4/c35-26-11-5-4-9-23(26)18-32-34-27(36)19-38-24-14-12-21(13-15-24)29(37)25-17-22-10-6-16-31-30(22)33-28(25)20-7-2-1-3-8-20/h1-18,35H,19H2,(H,34,36)/b32-18+
InChIKeyQCAMQRIEFFOIHD-KCSSXMTESA-N
XLogP4.76
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590241
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 136817914
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 4561292
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 135627845
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 135604432
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 137074822
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 3595179
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(trifluoromethyl)-1,8-naphthyridine-3-carboxamide
CID 135529797
2-(4-chloro-3,5-dimethylphenoxy)-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 917786
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661557

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide (CID 135611787) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide is O=C(COc1ccc(C(=O)c2cc3cccnc3nc2-c2ccccc2)cc1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide?
The InChIKey is QCAMQRIEFFOIHD-KCSSXMTESA-N. The full InChI is InChI=1S/C30H22N4O4/c35-26-11-5-4-9-23(26)18-32-34-27(36)19-38-24-14-12-21(13-15-24)29(37)25-17-22-10-6-16-31-30(22)33-28(25)20-7-2-1-3-8-20/h1-18,35H,19H2,(H,34,36)/b32-18+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide has a molecular weight of 502.53 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[4-(2-phenyl-1,8-naphthyridine-3-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 135611787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).