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

C22H14F3N5O — CID 59213016

IUPACN-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)31-18-12-6-3-9-15(18)20-26-16-10-4-1-7-13(16)19(27-20)28-21-14-8-2-5-11-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30)
InChIKeyOGVJBTXGCIBHOL-UHFFFAOYSA-N
MW421.38 g/mol
LogP5.82
Rot. Bonds4

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

N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 59213016) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID59213016
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC NameN-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESFC(F)(F)Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)31-18-12-6-3-9-15(18)20-26-16-10-4-1-7-13(16)19(27-20)28-21-14-8-2-5-11-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30)
InChIKeyOGVJBTXGCIBHOL-UHFFFAOYSA-N
XLogP5.82
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(trifluoromethyl)-1H-indazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10116278
2-(1,3-dihydro-2-benzofuran-4-yl)-N-(1H-indazol-3-yl)quinazolin-4-amine
CID 20626222
2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59212894
2-[2-chloro-6-(trifluoromethyl)phenyl]-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
CID 59085496
N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pteridin-4-amine
CID 20626371
5-[4-(1H-indazol-3-ylamino)quinazolin-2-yl]-6-propan-2-yl-1,2-dihydroindazol-3-one
CID 58935778
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
2-(2-fluorophenyl)-N-(1H-indazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 69373093
2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
CID 135597702
N-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 10179090
N-[6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 10137656
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789698

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 59213016) is N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is FC(F)(F)Oc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2ccccc2n1.
What is the InChIKey of N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is OGVJBTXGCIBHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c23-22(24,25)31-18-12-6-3-9-15(18)20-26-16-10-4-1-7-13(16)19(27-20)28-21-14-8-2-5-11-17(14)29-30-21/h1-12H,(H2,26,27,28,29,30).
What are the key properties of N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 421.38 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 59213016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).