5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide

C16H12N2O5 — CID 135409466

IUPAC5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)cc(O)c2cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H12N2O5/c17-15-12(16(22)18-8-1-3-9(19)4-2-8)7-11-13(21)5-10(20)6-14(11)23-15/h1-7,17,19-21H,(H,18,22)/b17-15-
InChIKeyGCHFSPLKZAPCEO-ICFOKQHNSA-N
MW312.28 g/mol
LogP2.28
Rot. Bonds2

About 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide

5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide (PubChem CID 135409466) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide
PubChem CID135409466
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2cc(O)cc(O)c2cc1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C16H12N2O5/c17-15-12(16(22)18-8-1-3-9(19)4-2-8)7-11-13(21)5-10(20)6-14(11)23-15/h1-7,17,19-21H,(H,18,22)/b17-15-
InChIKeyGCHFSPLKZAPCEO-ICFOKQHNSA-N
XLogP2.28
TPSA126.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
3-imino-N-(4-propan-2-ylphenyl)benzo[f]chromene-2-carboxamide
CID 19573949
8-hydroxy-N-(3-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 10402283
6-chloro-2-imino-N-(4-sulfamoylphenyl)chromene-3-carboxamide
CID 19289000
7-hydroxy-N-[4-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 135891381
2-imino-7-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 4276831
N-(4-acetylphenyl)-6-chloro-2-iminochromene-3-carboxamide
CID 19574019
7-hydroxy-N-[6-[(7-hydroxy-2-iminochromene-3-carbonyl)amino]hexyl]-2-iminochromene-3-carboxamide
CID 135891416
N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 152560062
6-chloro-N-(3,5-dichlorophenyl)-2-iminochromene-3-carboxamide
CID 17373603
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide?
The IUPAC name of 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide (CID 135409466) is 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide.
What is the SMILES notation for 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide?
The canonical SMILES for 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide is [H]/N=c1\oc2cc(O)cc(O)c2cc1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide?
The InChIKey is GCHFSPLKZAPCEO-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H12N2O5/c17-15-12(16(22)18-8-1-3-9(19)4-2-8)7-11-13(21)5-10(20)6-14(11)23-15/h1-7,17,19-21H,(H,18,22)/b17-15-.
What are the key properties of 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide?
5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide has a molecular weight of 312.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-N-(4-hydroxyphenyl)-2-iminochromene-3-carboxamide is sourced from PubChem (CID 135409466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).