1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C19H18N4O3 — CID 135869885

IUPAC1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18N4O3/c1-3-23-11-16(17(25)15-9-4-12(2)21-18(15)23)19(26)22-20-10-13-5-7-14(24)8-6-13/h4-11,24H,3H2,1-2H3,(H,22,26)/b20-10+
InChIKeyAJSHZYXYMXVQEF-KEBDBYFISA-N
MW350.38 g/mol
LogP2.19
Rot. Bonds4

About 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135869885) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID135869885
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H18N4O3/c1-3-23-11-16(17(25)15-9-4-12(2)21-18(15)23)19(26)22-20-10-13-5-7-14(24)8-6-13/h4-11,24H,3H2,1-2H3,(H,22,26)/b20-10+
InChIKeyAJSHZYXYMXVQEF-KEBDBYFISA-N
XLogP2.19
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 135869885) is 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)N/N=C/c2ccc(O)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AJSHZYXYMXVQEF-KEBDBYFISA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-23-11-16(17(25)15-9-4-12(2)21-18(15)23)19(26)22-20-10-13-5-7-14(24)8-6-13/h4-11,24H,3H2,1-2H3,(H,22,26)/b20-10+.
What are the key properties of 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135869885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).