2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine

C22H13ClF3N5 — CID 10160419

IUPAC2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1
InChIInChI=1S/C22H13ClF3N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31)
InChIKeySHNMWOLHIMZMGM-UHFFFAOYSA-N
MW439.83 g/mol
LogP6.59
Rot. Bonds3

About 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine

2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (PubChem CID 10160419) has the molecular formula C22H13ClF3N5 and a molecular weight of 439.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
PubChem CID10160419
Molecular FormulaC22H13ClF3N5
Molecular Weight439.83 g/mol
Exact Mass439.08
IUPAC Name2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1
InChIInChI=1S/C22H13ClF3N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31)
InChIKeySHNMWOLHIMZMGM-UHFFFAOYSA-N
XLogP6.59
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.83
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine (CID 10160419) is 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is FC(F)(F)c1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4ccccc34)c2c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
The InChIKey is SHNMWOLHIMZMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N5/c23-16-7-3-1-5-13(16)19-27-17-8-4-2-6-14(17)20(28-19)29-21-15-11-12(22(24,25)26)9-10-18(15)30-31-21/h1-11H,(H2,27,28,29,30,31).
What are the key properties of 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine?
2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine has a molecular weight of 439.83 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[5-(trifluoromethyl)-1H-indazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 10160419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).