N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine

C17H15N3 — CID 23186964

IUPACN-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2
InChIInChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)
InChIKeyCLVFUKGYGOFREN-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.21
Rot. Bonds2

About N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine

N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (PubChem CID 23186964) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
PubChem CID23186964
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine
SMILESc1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2
InChIInChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)
InChIKeyCLVFUKGYGOFREN-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine (CID 23186964) is N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is c1ccc2c(c1)CC(Nc1ncnc3ccccc13)C2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
The InChIKey is CLVFUKGYGOFREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)quinazolin-4-amine is sourced from PubChem (CID 23186964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).