7-hydroxy-2-phenyliminochromene-3-carboxamide

C16H12N2O3 — CID 135426627

IUPAC7-hydroxy-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H12N2O3/c17-15(20)13-8-10-6-7-12(19)9-14(10)21-16(13)18-11-4-2-1-3-5-11/h1-9,19H,(H2,17,20)/b18-16-
InChIKeyHWFCJTQLOXHQHQ-VLGSPTGOSA-N
MW280.28 g/mol
LogP2.47
Rot. Bonds2

About 7-hydroxy-2-phenyliminochromene-3-carboxamide

7-hydroxy-2-phenyliminochromene-3-carboxamide (PubChem CID 135426627) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 7-hydroxy-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-phenyliminochromene-3-carboxamide
PubChem CID135426627
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name7-hydroxy-2-phenyliminochromene-3-carboxamide
SMILESNC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccccc1
InChIInChI=1S/C16H12N2O3/c17-15(20)13-8-10-6-7-12(19)9-14(10)21-16(13)18-11-4-2-1-3-5-11/h1-9,19H,(H2,17,20)/b18-16-
InChIKeyHWFCJTQLOXHQHQ-VLGSPTGOSA-N
XLogP2.47
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-phenyliminochromene-3-carboxamide (CID 135426627) is 7-hydroxy-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-phenyliminochromene-3-carboxamide is NC(=O)c1cc2ccc(O)cc2o/c1=N\c1ccccc1.
What is the InChIKey of 7-hydroxy-2-phenyliminochromene-3-carboxamide?
The InChIKey is HWFCJTQLOXHQHQ-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H12N2O3/c17-15(20)13-8-10-6-7-12(19)9-14(10)21-16(13)18-11-4-2-1-3-5-11/h1-9,19H,(H2,17,20)/b18-16-.
What are the key properties of 7-hydroxy-2-phenyliminochromene-3-carboxamide?
7-hydroxy-2-phenyliminochromene-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 135426627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).