N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine

C21H14N2O — CID 45112228

IUPACN-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H14N2O/c1-2-8-14(9-3-1)22-20-15-10-4-6-12-17(15)23-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H,(H,22,23)
InChIKeyXSGYSGDBVMAGNM-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.88
Rot. Bonds2

About N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine

N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine (PubChem CID 45112228) has the molecular formula C21H14N2O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine.

Molecular Properties

Compound NameN-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine
PubChem CID45112228
Molecular FormulaC21H14N2O
Molecular Weight310.36 g/mol
Exact Mass310.11
IUPAC NameN-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESc1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H14N2O/c1-2-8-14(9-3-1)22-20-15-10-4-6-12-17(15)23-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H,(H,22,23)
InChIKeyXSGYSGDBVMAGNM-UHFFFAOYSA-N
XLogP5.88
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The IUPAC name of N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine (CID 45112228) is N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine.
What is the SMILES notation for N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The canonical SMILES for N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine is c1ccc(Nc2c3ccccc3nc3oc4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The InChIKey is XSGYSGDBVMAGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O/c1-2-8-14(9-3-1)22-20-15-10-4-6-12-17(15)23-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H,(H,22,23).
What are the key properties of N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine?
N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine has a molecular weight of 310.36 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-[1]benzofuro[2,3-b]quinolin-11-amine is sourced from PubChem (CID 45112228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).