N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide

C18H14N2O5 — CID 155537956

IUPACN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c(O)c1
InChIInChI=1S/C18H14N2O5/c1-24-13-7-6-12(15(21)9-13)10-19-20-17(22)14-8-11-4-2-3-5-16(11)25-18(14)23/h2-10,21H,1H3,(H,20,22)/b19-10+
InChIKeyDRIGIDIXJPCUAI-VXLYETTFSA-N
MW338.32 g/mol
LogP2.27
Rot. Bonds4

About N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide (PubChem CID 155537956) has the molecular formula C18H14N2O5 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
PubChem CID155537956
Molecular FormulaC18H14N2O5
Molecular Weight338.32 g/mol
Exact Mass338.09
IUPAC NameN-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c(O)c1
InChIInChI=1S/C18H14N2O5/c1-24-13-7-6-12(15(21)9-13)10-19-20-17(22)14-8-11-4-2-3-5-16(11)25-18(14)23/h2-10,21H,1H3,(H,20,22)/b19-10+
InChIKeyDRIGIDIXJPCUAI-VXLYETTFSA-N
XLogP2.27
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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 N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide (CID 155537956) is N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cc3ccccc3oc2=O)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
The InChIKey is DRIGIDIXJPCUAI-VXLYETTFSA-N. The full InChI is InChI=1S/C18H14N2O5/c1-24-13-7-6-12(15(21)9-13)10-19-20-17(22)14-8-11-4-2-3-5-16(11)25-18(14)23/h2-10,21H,1H3,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide?
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 155537956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).