8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C24H19F3N6O — CID 20626338

IUPAC8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESNCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23/h1-11H,12-13,28H2,(H2,29,30,31,32,33)
InChIKeyMSLMTTJDOKZNPH-UHFFFAOYSA-N
MW464.45 g/mol
LogP5.27
Rot. Bonds6

About 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 20626338) has the molecular formula C24H19F3N6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID20626338
Molecular FormulaC24H19F3N6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESNCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C24H19F3N6O/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23/h1-11H,12-13,28H2,(H2,29,30,31,32,33)
InChIKeyMSLMTTJDOKZNPH-UHFFFAOYSA-N
XLogP5.27
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 20626338) is 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is NCCOc1cccc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is MSLMTTJDOKZNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O/c25-24(26,27)17-9-3-1-6-14(17)21-29-20-16(8-5-11-19(20)34-13-12-28)22(30-21)31-23-15-7-2-4-10-18(15)32-33-23/h1-11H,12-13,28H2,(H2,29,30,31,32,33).
What are the key properties of 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 464.45 g/mol, XLogP of 5.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethoxy)-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 20626338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).