3-amino-4-(4-methylanilino)chromen-2-one

C16H14N2O2 — CID 3124631

IUPAC3-amino-4-(4-methylanilino)chromen-2-one
SMILESCc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-15-12-4-2-3-5-13(12)20-16(19)14(15)17/h2-9,18H,17H2,1H3
InChIKeyOJHVOOVVKDBKNC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.43
Rot. Bonds2

About 3-amino-4-(4-methylanilino)chromen-2-one

3-amino-4-(4-methylanilino)chromen-2-one (PubChem CID 3124631) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-4-(4-methylanilino)chromen-2-one.

Molecular Properties

Compound Name3-amino-4-(4-methylanilino)chromen-2-one
PubChem CID3124631
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-amino-4-(4-methylanilino)chromen-2-one
SMILESCc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-15-12-4-2-3-5-13(12)20-16(19)14(15)17/h2-9,18H,17H2,1H3
InChIKeyOJHVOOVVKDBKNC-UHFFFAOYSA-N
XLogP3.43
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
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 3-amino-4-(4-methylanilino)chromen-2-one?
The IUPAC name of 3-amino-4-(4-methylanilino)chromen-2-one (CID 3124631) is 3-amino-4-(4-methylanilino)chromen-2-one.
What is the SMILES notation for 3-amino-4-(4-methylanilino)chromen-2-one?
The canonical SMILES for 3-amino-4-(4-methylanilino)chromen-2-one is Cc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1.
What is the InChIKey of 3-amino-4-(4-methylanilino)chromen-2-one?
The InChIKey is OJHVOOVVKDBKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-15-12-4-2-3-5-13(12)20-16(19)14(15)17/h2-9,18H,17H2,1H3.
What are the key properties of 3-amino-4-(4-methylanilino)chromen-2-one?
3-amino-4-(4-methylanilino)chromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylanilino)chromen-2-one is sourced from PubChem (CID 3124631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).