3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

C22H18N2O2 — CID 5309080

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12
InChIInChI=1S/C22H18N2O2/c1-14-18-12-20(26-21(18)17-8-4-5-9-19(17)23-14)22(25)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3
InChIKeyXCGSMAIOHBHIEZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.49
Rot. Bonds1

About 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone

3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (PubChem CID 5309080) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
PubChem CID5309080
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone
SMILESCc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12
InChIInChI=1S/C22H18N2O2/c1-14-18-12-20(26-21(18)17-8-4-5-9-19(17)23-14)22(25)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3
InChIKeyXCGSMAIOHBHIEZ-UHFFFAOYSA-N
XLogP4.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone 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 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone (CID 5309080) is 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
The InChIKey is XCGSMAIOHBHIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-14-18-12-20(26-21(18)17-8-4-5-9-19(17)23-14)22(25)24-11-10-15-6-2-3-7-16(15)13-24/h2-9,12H,10-11,13H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone?
3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-(4-methylfuro[3,2-c]quinolin-2-yl)methanone is sourced from PubChem (CID 5309080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).