3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol

C18H16N2O — CID 107089667

IUPAC3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2cnc3ccccc3c2)c2ccccc21
InChIInChI=1S/C18H16N2O/c19-16-10-18(21,15-7-3-2-6-14(15)16)13-9-12-5-1-4-8-17(12)20-11-13/h1-9,11,16,21H,10,19H2
InChIKeyYATCVWRBWAMRRF-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.87
Rot. Bonds1

About 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol

3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol (PubChem CID 107089667) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
PubChem CID107089667
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(c2cnc3ccccc3c2)c2ccccc21
InChIInChI=1S/C18H16N2O/c19-16-10-18(21,15-7-3-2-6-14(15)16)13-9-12-5-1-4-8-17(12)20-11-13/h1-9,11,16,21H,10,19H2
InChIKeyYATCVWRBWAMRRF-UHFFFAOYSA-N
XLogP2.87
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol 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-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol (CID 107089667) is 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol is NC1CC(O)(c2cnc3ccccc3c2)c2ccccc21.
What is the InChIKey of 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol?
The InChIKey is YATCVWRBWAMRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-10-18(21,15-7-3-2-6-14(15)16)13-9-12-5-1-4-8-17(12)20-11-13/h1-9,11,16,21H,10,19H2.
What are the key properties of 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol?
3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol has a molecular weight of 276.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-quinolin-3-yl-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).