6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one

C22H18N2O2 — CID 10759718

IUPAC6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
SMILESO=c1oc2ccccc2c2nc(Nc3ccccc3)c3c(c12)CCCC3
InChIInChI=1S/C22H18N2O2/c25-22-19-15-10-4-5-11-16(15)21(23-14-8-2-1-3-9-14)24-20(19)17-12-6-7-13-18(17)26-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,23,24)
InChIKeyKFRJXCNIAPSJGH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.96
Rot. Bonds2

About 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one

6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one (PubChem CID 10759718) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one.

Molecular Properties

Compound Name6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
PubChem CID10759718
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one
SMILESO=c1oc2ccccc2c2nc(Nc3ccccc3)c3c(c12)CCCC3
InChIInChI=1S/C22H18N2O2/c25-22-19-15-10-4-5-11-16(15)21(23-14-8-2-1-3-9-14)24-20(19)17-12-6-7-13-18(17)26-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,23,24)
InChIKeyKFRJXCNIAPSJGH-UHFFFAOYSA-N
XLogP4.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one?
The IUPAC name of 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one (CID 10759718) is 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one.
What is the SMILES notation for 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one?
The canonical SMILES for 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one is O=c1oc2ccccc2c2nc(Nc3ccccc3)c3c(c12)CCCC3.
What is the InChIKey of 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one?
The InChIKey is KFRJXCNIAPSJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22-19-15-10-4-5-11-16(15)21(23-14-8-2-1-3-9-14)24-20(19)17-12-6-7-13-18(17)26-22/h1-3,6-9,12-13H,4-5,10-11H2,(H,23,24).
What are the key properties of 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one?
6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one has a molecular weight of 342.40 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-7,8,9,10-tetrahydrochromeno[4,3-c]isoquinolin-11-one is sourced from PubChem (CID 10759718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).