7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide

C17H14N2O3 — CID 135412516

IUPAC7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1
InChIInChI=1S/C17H14N2O3/c1-10-2-5-12(6-3-10)19-17-14(16(18)21)8-11-4-7-13(20)9-15(11)22-17/h2-9,20H,1H3,(H2,18,21)/b19-17-
InChIKeyLCADLHMANRRQQG-ZPHPHTNESA-N
MW294.31 g/mol
LogP2.78
Rot. Bonds2

About 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide

7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide (PubChem CID 135412516) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide
PubChem CID135412516
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1
InChIInChI=1S/C17H14N2O3/c1-10-2-5-12(6-3-10)19-17-14(16(18)21)8-11-4-7-13(20)9-15(11)22-17/h2-9,20H,1H3,(H2,18,21)/b19-17-
InChIKeyLCADLHMANRRQQG-ZPHPHTNESA-N
XLogP2.78
TPSA88.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide (CID 135412516) is 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide is Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is LCADLHMANRRQQG-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-2-5-12(6-3-10)19-17-14(16(18)21)8-11-4-7-13(20)9-15(11)22-17/h2-9,20H,1H3,(H2,18,21)/b19-17-.
What are the key properties of 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide?
7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 135412516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).