4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

C22H15F3N6 — CID 10273626

IUPAC4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)15-9-3-6-12-18(15)27-21-26-16-10-4-1-7-13(16)19(29-21)28-20-14-8-2-5-11-17(14)30-31-20/h1-12H,(H3,26,27,28,29,30,31)
InChIKeyALHQBGAZODZYIN-UHFFFAOYSA-N
MW420.40 g/mol
LogP6.01
Rot. Bonds4

About 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine

4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (PubChem CID 10273626) has the molecular formula C22H15F3N6 and a molecular weight of 420.40 g/mol. Its IUPAC name is 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
PubChem CID10273626
Molecular FormulaC22H15F3N6
Molecular Weight420.40 g/mol
Exact Mass420.13
IUPAC Name4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H15F3N6/c23-22(24,25)15-9-3-6-12-18(15)27-21-26-16-10-4-1-7-13(16)19(29-21)28-20-14-8-2-5-11-17(14)30-31-20/h1-12H,(H3,26,27,28,29,30,31)
InChIKeyALHQBGAZODZYIN-UHFFFAOYSA-N
XLogP6.01
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.40
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine (CID 10273626) is 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is FC(F)(F)c1ccccc1Nc1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
The InChIKey is ALHQBGAZODZYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6/c23-22(24,25)15-9-3-6-12-18(15)27-21-26-16-10-4-1-7-13(16)19(29-21)28-20-14-8-2-5-11-17(14)30-31-20/h1-12H,(H3,26,27,28,29,30,31).
What are the key properties of 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine?
4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine has a molecular weight of 420.40 g/mol, XLogP of 6.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-3-yl)-2-N-[2-(trifluoromethyl)phenyl]quinazoline-2,4-diamine is sourced from PubChem (CID 10273626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).