2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine

C26H23FN6O — CID 70839644

IUPAC2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C26H23FN6O/c27-16-17-6-1-2-7-18(17)24-28-23-20(9-5-11-22(23)33-12-14-34-15-13-33)25(29-24)30-26-19-8-3-4-10-21(19)31-32-26/h1-11H,12-16H2,(H2,28,29,30,31,32)
InChIKeyPHLXKPFJWVCURO-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.22
Rot. Bonds5

About 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine

2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine (PubChem CID 70839644) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine
PubChem CID70839644
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C26H23FN6O/c27-16-17-6-1-2-7-18(17)24-28-23-20(9-5-11-22(23)33-12-14-34-15-13-33)25(29-24)30-26-19-8-3-4-10-21(19)31-32-26/h1-11H,12-16H2,(H2,28,29,30,31,32)
InChIKeyPHLXKPFJWVCURO-UHFFFAOYSA-N
XLogP5.22
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-Amino-6-(Morpholin-4-Yl)pyrimidin-4-Yl]-2h-Indazol-3-Amine
CID 46214653
6-{2-Amino-6-[(3r)-3-Methylmorpholin-4-Yl]pyrimidin-4-Yl}-2h-Indazol-3-Amine
CID 46215988
2-(1-{[2-(2h-Indazol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378156
7-(5,6-Dimethyl-2-morpholin-4-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
CID 67607544
2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
2-(3,8-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155536489
2-(3,5-dimethylquinoxalin-2-yl)-N-(oxan-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 155544874
5-Methyl-9-(4-morpholinyl)benzimidazo[2,1-a]phthalazine
CID 955835
3-[2-(2-methyl-benzyl)-1H-benzoimidazol-5-yl]-1-(4-morpholin-4-yl-cyclhexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 44441700
3-(2-(2-fluorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44441702
3-(2-(3-fluorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44441711
3-(2-(4-fluorobenzyl)-1H-benzo[d]imidazol-5-yl)-1-((1r,4r)-4-morpholinocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 44441715

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine?
The IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine (CID 70839644) is 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine is FCc1ccccc1-c1nc(Nc2n[nH]c3ccccc23)c2cccc(N3CCOCC3)c2n1.
What is the InChIKey of 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine?
The InChIKey is PHLXKPFJWVCURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c27-16-17-6-1-2-7-18(17)24-28-23-20(9-5-11-22(23)33-12-14-34-15-13-33)25(29-24)30-26-19-8-3-4-10-21(19)31-32-26/h1-11H,12-16H2,(H2,28,29,30,31,32).
What are the key properties of 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine?
2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine has a molecular weight of 454.51 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)phenyl]-N-(1H-indazol-3-yl)-8-morpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 70839644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).