5-amino-2-[4-(methylamino)phenyl]chromen-4-one

C16H14N2O2 — CID 10333138

IUPAC5-amino-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-18-11-7-5-10(6-8-11)15-9-13(19)16-12(17)3-2-4-14(16)20-15/h2-9,18H,17H2,1H3
InChIKeyZHHYYZPKDGVHEN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.08
Rot. Bonds2

About 5-amino-2-[4-(methylamino)phenyl]chromen-4-one

5-amino-2-[4-(methylamino)phenyl]chromen-4-one (PubChem CID 10333138) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-2-[4-(methylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-amino-2-[4-(methylamino)phenyl]chromen-4-one
PubChem CID10333138
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-amino-2-[4-(methylamino)phenyl]chromen-4-one
SMILESCNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1
InChIInChI=1S/C16H14N2O2/c1-18-11-7-5-10(6-8-11)15-9-13(19)16-12(17)3-2-4-14(16)20-15/h2-9,18H,17H2,1H3
InChIKeyZHHYYZPKDGVHEN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[4-(methylamino)phenyl]chromen-4-one?
The IUPAC name of 5-amino-2-[4-(methylamino)phenyl]chromen-4-one (CID 10333138) is 5-amino-2-[4-(methylamino)phenyl]chromen-4-one.
What is the SMILES notation for 5-amino-2-[4-(methylamino)phenyl]chromen-4-one?
The canonical SMILES for 5-amino-2-[4-(methylamino)phenyl]chromen-4-one is CNc1ccc(-c2cc(=O)c3c(N)cccc3o2)cc1.
What is the InChIKey of 5-amino-2-[4-(methylamino)phenyl]chromen-4-one?
The InChIKey is ZHHYYZPKDGVHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-11-7-5-10(6-8-11)15-9-13(19)16-12(17)3-2-4-14(16)20-15/h2-9,18H,17H2,1H3.
What are the key properties of 5-amino-2-[4-(methylamino)phenyl]chromen-4-one?
5-amino-2-[4-(methylamino)phenyl]chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[4-(methylamino)phenyl]chromen-4-one is sourced from PubChem (CID 10333138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).