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

C23H17F3N4 — CID 11575026

IUPACN-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(NC3Cc4ccccc4C3)ncnc2c1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)19-6-3-9-27-21(19)16-7-8-18-20(12-16)28-13-29-22(18)30-17-10-14-4-1-2-5-15(14)11-17/h1-9,12-13,17H,10-11H2,(H,28,29,30)
InChIKeyBHMPTCHYRUPKOT-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.29
Rot. Bonds3

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

N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 11575026) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID11575026
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccnc1-c1ccc2c(NC3Cc4ccccc4C3)ncnc2c1
InChIInChI=1S/C23H17F3N4/c24-23(25,26)19-6-3-9-27-21(19)16-7-8-18-20(12-16)28-13-29-22(18)30-17-10-14-4-1-2-5-15(14)11-17/h1-9,12-13,17H,10-11H2,(H,28,29,30)
InChIKeyBHMPTCHYRUPKOT-UHFFFAOYSA-N
XLogP5.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 11575026) is N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is FC(F)(F)c1cccnc1-c1ccc2c(NC3Cc4ccccc4C3)ncnc2c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is BHMPTCHYRUPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c24-23(25,26)19-6-3-9-27-21(19)16-7-8-18-20(12-16)28-13-29-22(18)30-17-10-14-4-1-2-5-15(14)11-17/h1-9,12-13,17H,10-11H2,(H,28,29,30).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 406.41 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 11575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).