4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one

C22H15NO3 — CID 631083

IUPAC4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1occ(Nc3cccc4ccccc34)c12
InChIInChI=1S/C22H15NO3/c1-13-11-20(24)26-22-15(13)9-10-19-21(22)18(12-25-19)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,23H,1H3
InChIKeyNODVYOMCEIBQSQ-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.74
Rot. Bonds2

About 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one

4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one (PubChem CID 631083) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
PubChem CID631083
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
SMILESCc1cc(=O)oc2c1ccc1occ(Nc3cccc4ccccc34)c12
InChIInChI=1S/C22H15NO3/c1-13-11-20(24)26-22-15(13)9-10-19-21(22)18(12-25-19)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,23H,1H3
InChIKeyNODVYOMCEIBQSQ-UHFFFAOYSA-N
XLogP5.74
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one (CID 631083) is 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one is Cc1cc(=O)oc2c1ccc1occ(Nc3cccc4ccccc34)c12.
What is the InChIKey of 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one?
The InChIKey is NODVYOMCEIBQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c1-13-11-20(24)26-22-15(13)9-10-19-21(22)18(12-25-19)23-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,23H,1H3.
What are the key properties of 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one?
4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one has a molecular weight of 341.37 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 631083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).