8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide

C17H14N2O3 — CID 19573880

IUPAC8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-
InChIKeySKZQOFVKMNLPBF-VLGSPTGOSA-N
MW294.31 g/mol
LogP3.18
Rot. Bonds2

About 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide

8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide (PubChem CID 19573880) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide
PubChem CID19573880
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-
InChIKeySKZQOFVKMNLPBF-VLGSPTGOSA-N
XLogP3.18
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The IUPAC name of 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide (CID 19573880) is 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide is [H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
The InChIKey is SKZQOFVKMNLPBF-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-.
What are the key properties of 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide?
8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-imino-N-(4-methylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 19573880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).