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

C16H12N2O — CID 45112227

IUPACN-methyl-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESCNc1c2ccccc2nc2oc3ccccc3c12
InChIInChI=1S/C16H12N2O/c1-17-15-10-6-2-4-8-12(10)18-16-14(15)11-7-3-5-9-13(11)19-16/h2-9H,1H3,(H,17,18)
InChIKeyMMVWDQHSPGPOLF-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.18
Rot. Bonds1

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

N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine (PubChem CID 45112227) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine.

Molecular Properties

Compound NameN-methyl-[1]benzofuro[2,3-b]quinolin-11-amine
PubChem CID45112227
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC NameN-methyl-[1]benzofuro[2,3-b]quinolin-11-amine
SMILESCNc1c2ccccc2nc2oc3ccccc3c12
InChIInChI=1S/C16H12N2O/c1-17-15-10-6-2-4-8-12(10)18-16-14(15)11-7-3-5-9-13(11)19-16/h2-9H,1H3,(H,17,18)
InChIKeyMMVWDQHSPGPOLF-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The IUPAC name of N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine (CID 45112227) is N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine.
What is the SMILES notation for N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The canonical SMILES for N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine is CNc1c2ccccc2nc2oc3ccccc3c12.
What is the InChIKey of N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine?
The InChIKey is MMVWDQHSPGPOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-17-15-10-6-2-4-8-12(10)18-16-14(15)11-7-3-5-9-13(11)19-16/h2-9H,1H3,(H,17,18).
What are the key properties of N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine?
N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine has a molecular weight of 248.29 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-[1]benzofuro[2,3-b]quinolin-11-amine is sourced from PubChem (CID 45112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).