(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide

C17H14N2O5 — CID 135466641

IUPAC(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)cc1
InChIInChI=1S/C17H14N2O5/c1-23-13-6-3-11(4-7-13)18-16(21)14-8-10-2-5-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21)/b19-17-
InChIKeyMICKFILEHZWQCP-ZPHPHTNESA-N
MW326.31 g/mol
LogP2.69
Rot. Bonds3

About (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide

(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide (PubChem CID 135466641) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide
PubChem CID135466641
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)cc1
InChIInChI=1S/C17H14N2O5/c1-23-13-6-3-11(4-7-13)18-16(21)14-8-10-2-5-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21)/b19-17-
InChIKeyMICKFILEHZWQCP-ZPHPHTNESA-N
XLogP2.69
TPSA104.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_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 (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide (CID 135466641) is (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)cc1.
What is the InChIKey of (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is MICKFILEHZWQCP-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-13-6-3-11(4-7-13)18-16(21)14-8-10-2-5-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21)/b19-17-.
What are the key properties of (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide?
(2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-hydroxy-2-hydroxyimino-N-(4-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 135466641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).