8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one

C18H12N2O2 — CID 137366832

IUPAC8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one
SMILESNc1ccc2cc3cc(-c4ccncc4)c(=O)oc3cc2c1
InChIInChI=1S/C18H12N2O2/c19-15-2-1-12-7-14-9-16(11-3-5-20-6-4-11)18(21)22-17(14)10-13(12)8-15/h1-10H,19H2
InChIKeyVPQHIKNASWESKJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.59
Rot. Bonds1

About 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one

8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one (PubChem CID 137366832) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one.

Molecular Properties

Compound Name8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one
PubChem CID137366832
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one
SMILESNc1ccc2cc3cc(-c4ccncc4)c(=O)oc3cc2c1
InChIInChI=1S/C18H12N2O2/c19-15-2-1-12-7-14-9-16(11-3-5-20-6-4-11)18(21)22-17(14)10-13(12)8-15/h1-10H,19H2
InChIKeyVPQHIKNASWESKJ-UHFFFAOYSA-N
XLogP3.59
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one?
The IUPAC name of 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one (CID 137366832) is 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one.
What is the SMILES notation for 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one?
The canonical SMILES for 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one is Nc1ccc2cc3cc(-c4ccncc4)c(=O)oc3cc2c1.
What is the InChIKey of 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one?
The InChIKey is VPQHIKNASWESKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c19-15-2-1-12-7-14-9-16(11-3-5-20-6-4-11)18(21)22-17(14)10-13(12)8-15/h1-10H,19H2.
What are the key properties of 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one?
8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-pyridin-4-ylbenzo[g]chromen-2-one is sourced from PubChem (CID 137366832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).