2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol

C17H14FN3O — CID 90446084

IUPAC2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C17H14FN3O/c18-12-2-4-16-15(8-12)17(20-9-19-16)21-13-5-10-1-3-14(22)7-11(10)6-13/h1-4,7-9,13,22H,5-6H2,(H,19,20,21)
InChIKeyBUJKWHKQXPAWJY-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.05
Rot. Bonds2

About 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol

2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 90446084) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID90446084
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2
InChIInChI=1S/C17H14FN3O/c18-12-2-4-16-15(8-12)17(20-9-19-16)21-13-5-10-1-3-14(22)7-11(10)6-13/h1-4,7-9,13,22H,5-6H2,(H,19,20,21)
InChIKeyBUJKWHKQXPAWJY-UHFFFAOYSA-N
XLogP3.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-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 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol (CID 90446084) is 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CC(Nc1ncnc3ccc(F)cc13)C2.
What is the InChIKey of 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is BUJKWHKQXPAWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-12-2-4-16-15(8-12)17(20-9-19-16)21-13-5-10-1-3-14(22)7-11(10)6-13/h1-4,7-9,13,22H,5-6H2,(H,19,20,21).
What are the key properties of 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol?
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 295.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 90446084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).