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

C16H14N2O2 — CID 3124630

IUPAC3-amino-4-(2-methylanilino)chromen-2-one
SMILESCc1ccccc1Nc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-10-6-2-4-8-12(10)18-15-11-7-3-5-9-13(11)20-16(19)14(15)17/h2-9,18H,17H2,1H3
InChIKeyUAGLIIBCANVXKM-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.43
Rot. Bonds2

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

3-amino-4-(2-methylanilino)chromen-2-one (PubChem CID 3124630) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-4-(2-methylanilino)chromen-2-one.

Molecular Properties

Compound Name3-amino-4-(2-methylanilino)chromen-2-one
PubChem CID3124630
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-amino-4-(2-methylanilino)chromen-2-one
SMILESCc1ccccc1Nc1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-10-6-2-4-8-12(10)18-15-11-7-3-5-9-13(11)20-16(19)14(15)17/h2-9,18H,17H2,1H3
InChIKeyUAGLIIBCANVXKM-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-(2-methylanilino)chromen-2-one?
The IUPAC name of 3-amino-4-(2-methylanilino)chromen-2-one (CID 3124630) is 3-amino-4-(2-methylanilino)chromen-2-one.
What is the SMILES notation for 3-amino-4-(2-methylanilino)chromen-2-one?
The canonical SMILES for 3-amino-4-(2-methylanilino)chromen-2-one is Cc1ccccc1Nc1c(N)c(=O)oc2ccccc12.
What is the InChIKey of 3-amino-4-(2-methylanilino)chromen-2-one?
The InChIKey is UAGLIIBCANVXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-2-4-8-12(10)18-15-11-7-3-5-9-13(11)20-16(19)14(15)17/h2-9,18H,17H2,1H3.
What are the key properties of 3-amino-4-(2-methylanilino)chromen-2-one?
3-amino-4-(2-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-(2-methylanilino)chromen-2-one is sourced from PubChem (CID 3124630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).