4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine

C17H15N3O — CID 80874662

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
SMILESNc1nc(Oc2ccc3c(c2)CCC3)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c18-17-19-15-7-2-1-6-14(15)16(20-17)21-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H2,18,19,20)
InChIKeyVNCYQUUSUJNMRF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.49
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine

4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine (PubChem CID 80874662) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
PubChem CID80874662
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine
SMILESNc1nc(Oc2ccc3c(c2)CCC3)c2ccccc2n1
InChIInChI=1S/C17H15N3O/c18-17-19-15-7-2-1-6-14(15)16(20-17)21-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H2,18,19,20)
InChIKeyVNCYQUUSUJNMRF-UHFFFAOYSA-N
XLogP3.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-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 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine (CID 80874662) is 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine is Nc1nc(Oc2ccc3c(c2)CCC3)c2ccccc2n1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine?
The InChIKey is VNCYQUUSUJNMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17-19-15-7-2-1-6-14(15)16(20-17)21-13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10H,3-5H2,(H2,18,19,20).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine?
4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine has a molecular weight of 277.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)quinazolin-2-amine is sourced from PubChem (CID 80874662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).