N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide

C26H18N2O4 — CID 177386306

IUPACN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C26H18N2O4/c1-31-23-12-10-17-7-3-5-9-19(17)22(23)15-27-28-25(29)21-14-20-18-8-4-2-6-16(18)11-13-24(20)32-26(21)30/h2-15H,1H3,(H,28,29)/b27-15+
InChIKeyODFGNBXVHAZIFC-JFLMPSFJSA-N
MW422.44 g/mol
LogP4.87
Rot. Bonds4

About N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide

N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 177386306) has the molecular formula C26H18N2O4 and a molecular weight of 422.44 g/mol. Its IUPAC name is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID177386306
Molecular FormulaC26H18N2O4
Molecular Weight422.44 g/mol
Exact Mass422.13
IUPAC NameN-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide
SMILESCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)oc1=O
InChIInChI=1S/C26H18N2O4/c1-31-23-12-10-17-7-3-5-9-19(17)22(23)15-27-28-25(29)21-14-20-18-8-4-2-6-16(18)11-13-24(20)32-26(21)30/h2-15H,1H3,(H,28,29)/b27-15+
InChIKeyODFGNBXVHAZIFC-JFLMPSFJSA-N
XLogP4.87
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
N-[(Z)-(2-methoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 5411631
5-bromo-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
CID 137227559
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-iminobenzo[f]chromene-2-carboxamide
CID 2311822
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 91970189
2-methoxy-4-methyl-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126017623
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6890833
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 135457356
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide (CID 177386306) is N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide is COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)oc1=O.
What is the InChIKey of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is ODFGNBXVHAZIFC-JFLMPSFJSA-N. The full InChI is InChI=1S/C26H18N2O4/c1-31-23-12-10-17-7-3-5-9-19(17)22(23)15-27-28-25(29)21-14-20-18-8-4-2-6-16(18)11-13-24(20)32-26(21)30/h2-15H,1H3,(H,28,29)/b27-15+.
What are the key properties of N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide?
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 177386306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).