4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one

C19H15NO3 — CID 627761

IUPAC4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
SMILESCc1ccc(Nc2coc3ccc4c(C)cc(=O)oc4c23)cc1
InChIInChI=1S/C19H15NO3/c1-11-3-5-13(6-4-11)20-15-10-22-16-8-7-14-12(2)9-17(21)23-19(14)18(15)16/h3-10,20H,1-2H3
InChIKeyQHWPGYNKKUMYSY-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.90
Rot. Bonds2

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

4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one (PubChem CID 627761) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one.

Molecular Properties

Compound Name4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
PubChem CID627761
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one
SMILESCc1ccc(Nc2coc3ccc4c(C)cc(=O)oc4c23)cc1
InChIInChI=1S/C19H15NO3/c1-11-3-5-13(6-4-11)20-15-10-22-16-8-7-14-12(2)9-17(21)23-19(14)18(15)16/h3-10,20H,1-2H3
InChIKeyQHWPGYNKKUMYSY-UHFFFAOYSA-N
XLogP4.90
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
CID 631083
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
N-[9-(4-chloroanilino)-4-methyl-2-oxofuro[2,3-h]chromen-6-yl]acetamide
CID 633348
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
7-anilino-4-methylchromen-2-one
CID 804341
7-hydroxy-4-methyl-8-[(4-methylphenyl)diazenyl]chromen-2-one
CID 135758956
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
methyl (4-methyl-2,10-dioxopyrano[2,3-f]chromen-8-yl) carbonate
CID 88718270
N-(4,8-dimethyl-2-oxofuro[2,3-h]chromen-9-yl)-2-(4-methylpiperazin-1-yl)acetamide
CID 3058824

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one?
The IUPAC name of 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one (CID 627761) is 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one.
What is the SMILES notation for 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one?
The canonical SMILES for 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one is Cc1ccc(Nc2coc3ccc4c(C)cc(=O)oc4c23)cc1.
What is the InChIKey of 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one?
The InChIKey is QHWPGYNKKUMYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-11-3-5-13(6-4-11)20-15-10-22-16-8-7-14-12(2)9-17(21)23-19(14)18(15)16/h3-10,20H,1-2H3.
What are the key properties of 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one?
4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one has a molecular weight of 305.33 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(4-methylanilino)furo[2,3-h]chromen-2-one is sourced from PubChem (CID 627761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).