4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide

C20H13NO4 — CID 54748267

IUPAC4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C20H13NO4/c22-18-14-9-3-4-11-16(14)25-20(24)17(18)19(23)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,21,23)
InChIKeyJUPBMFVYUUZFOY-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.90
Rot. Bonds2

About 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide

4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide (PubChem CID 54748267) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
PubChem CID54748267
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C20H13NO4/c22-18-14-9-3-4-11-16(14)25-20(24)17(18)19(23)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,21,23)
InChIKeyJUPBMFVYUUZFOY-UHFFFAOYSA-N
XLogP3.90
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54736250
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
4-hydroxy-2-oxo-N-pyrimidin-2-ylchromene-3-carboxamide
CID 54695908
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)chromene-3-carboxamide
CID 54726652
N-naphthalen-1-yldibenzofuran-2-carboxamide
CID 18876147
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
N-(6-benzamidohexyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54706041
4-hydroxy-N-[2-(methanesulfonamido)ethyl]-2-oxochromene-3-carboxamide
CID 54715285
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
CID 153315843
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The IUPAC name of 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide (CID 54748267) is 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide is O=C(Nc1cccc2ccccc12)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
The InChIKey is JUPBMFVYUUZFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-18-14-9-3-4-11-16(14)25-20(24)17(18)19(23)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11,22H,(H,21,23).
What are the key properties of 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide?
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 54748267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).