N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide

C17H13NO4 — CID 4990145

IUPACN-(3-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H13NO4/c1-21-12-6-4-5-11(9-12)18-17(20)16-10-14(19)13-7-2-3-8-15(13)22-16/h2-10H,1H3,(H,18,20)
InChIKeyQCZSSUYIEIKLQI-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.05
Rot. Bonds3

About N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide

N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide (PubChem CID 4990145) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-oxochromene-2-carboxamide
PubChem CID4990145
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC NameN-(3-methoxyphenyl)-4-oxochromene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C17H13NO4/c1-21-12-6-4-5-11(9-12)18-17(20)16-10-14(19)13-7-2-3-8-15(13)22-16/h2-10H,1H3,(H,18,20)
InChIKeyQCZSSUYIEIKLQI-UHFFFAOYSA-N
XLogP3.05
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide (CID 4990145) is N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide is COc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is QCZSSUYIEIKLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c1-21-12-6-4-5-11(9-12)18-17(20)16-10-14(19)13-7-2-3-8-15(13)22-16/h2-10H,1H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide?
N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 4990145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).