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

C17H14N2O5 — CID 135473864

IUPAC7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NO)c1
InChIInChI=1S/C17H14N2O5/c1-23-13-4-2-3-11(8-13)18-16(21)14-7-10-5-6-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21)
InChIKeyHTUMPPPWHOUPQI-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.69
Rot. Bonds3

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

7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide (PubChem CID 135473864) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
PubChem CID135473864
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NO)c1
InChIInChI=1S/C17H14N2O5/c1-23-13-4-2-3-11(8-13)18-16(21)14-7-10-5-6-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21)
InChIKeyHTUMPPPWHOUPQI-UHFFFAOYSA-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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Related Compounds

N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135457285
N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
7-hydroxy-N-(2-methoxyphenyl)-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135468785
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
CID 3577385
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
CID 136772148
4-[[7-methoxy-3-[[3-(trifluoromethyl)phenyl]carbamoyl]chromen-2-ylidene]amino]benzoic acid
CID 4078376
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide (CID 135473864) is 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide is COc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NO)c1.
What is the InChIKey of 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide?
The InChIKey is HTUMPPPWHOUPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-23-13-4-2-3-11(8-13)18-16(21)14-7-10-5-6-12(20)9-15(10)24-17(14)19-22/h2-9,20,22H,1H3,(H,18,21).
What are the key properties of 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide?
7-hydroxy-2-hydroxyimino-N-(3-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 7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide is sourced from PubChem (CID 135473864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).