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

C22H13ClF3N5 — CID 69374691

IUPAC2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)n1nc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c2ccccc21
InChIInChI=1S/C22H13ClF3N5/c23-16-10-4-1-7-13(16)19-27-17-11-5-2-8-14(17)20(28-19)29-21-15-9-3-6-12-18(15)31(30-21)22(24,25)26/h1-12H,(H,27,28,29,30)
InChIKeyDYCUJTLCPVCWHY-UHFFFAOYSA-N
MW439.83 g/mol
LogP6.52
Rot. Bonds3

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

2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine (PubChem CID 69374691) has the molecular formula C22H13ClF3N5 and a molecular weight of 439.83 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine
PubChem CID69374691
Molecular FormulaC22H13ClF3N5
Molecular Weight439.83 g/mol
Exact Mass439.08
IUPAC Name2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine
SMILESFC(F)(F)n1nc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c2ccccc21
InChIInChI=1S/C22H13ClF3N5/c23-16-10-4-1-7-13(16)19-27-17-11-5-2-8-14(17)20(28-19)29-21-15-9-3-6-12-18(15)31(30-21)22(24,25)26/h1-12H,(H,27,28,29,30)
InChIKeyDYCUJTLCPVCWHY-UHFFFAOYSA-N
XLogP6.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.83
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
N-butan-2-yl-2-(2-chlorophenyl)quinazolin-4-amine
CID 23796400
2-(2-chlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914453
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methylideneamino]quinazolin-4-amine
CID 5160943
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 59213016
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
N-[1-(4-bromophenyl)ethylideneamino]-2-(2-chlorophenyl)quinazolin-4-amine
CID 3810080
2-(2-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinazolin-4-amine
CID 7144657
2-[2-(fluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)quinazolin-4-amine
CID 70839672

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine (CID 69374691) is 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine is FC(F)(F)n1nc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine?
The InChIKey is DYCUJTLCPVCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N5/c23-16-10-4-1-7-13(16)19-27-17-11-5-2-8-14(17)20(28-19)29-21-15-9-3-6-12-18(15)31(30-21)22(24,25)26/h1-12H,(H,27,28,29,30).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine?
2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine has a molecular weight of 439.83 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(trifluoromethyl)indazol-3-yl]quinazolin-4-amine is sourced from PubChem (CID 69374691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).