3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine

C18H16F3N3 — CID 86297837

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
SMILESNC1=Nc2cc(C(F)(F)F)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)14-6-5-13-10-24(17(22)23-16(13)9-14)15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15H,7-8,10H2,(H2,22,23)
InChIKeyDWOFLNLFQWTHKC-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.63
Rot. Bonds1

About 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine

3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine (PubChem CID 86297837) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
PubChem CID86297837
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine
SMILESNC1=Nc2cc(C(F)(F)F)ccc2CN1C1Cc2ccccc2C1
InChIInChI=1S/C18H16F3N3/c19-18(20,21)14-6-5-13-10-24(17(22)23-16(13)9-14)15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15H,7-8,10H2,(H2,22,23)
InChIKeyDWOFLNLFQWTHKC-UHFFFAOYSA-N
XLogP3.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine (CID 86297837) is 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine is NC1=Nc2cc(C(F)(F)F)ccc2CN1C1Cc2ccccc2C1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
The InChIKey is DWOFLNLFQWTHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c19-18(20,21)14-6-5-13-10-24(17(22)23-16(13)9-14)15-7-11-3-1-2-4-12(11)8-15/h1-6,9,15H,7-8,10H2,(H2,22,23).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine?
3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)-4H-quinazolin-2-amine is sourced from PubChem (CID 86297837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).