1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol

C22H14F6N4O — CID 127027820

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol
SMILESOC(c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)30-19-16-5-1-2-6-17(16)31-18(32-19)13-4-3-11-29-12-13/h1-12,33H,(H,30,31,32)
InChIKeyMUVPOVUQKRVMAY-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.75
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol (PubChem CID 127027820) has the molecular formula C22H14F6N4O and a molecular weight of 464.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol
PubChem CID127027820
Molecular FormulaC22H14F6N4O
Molecular Weight464.37 g/mol
Exact Mass464.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol
SMILESOC(c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)30-19-16-5-1-2-6-17(16)31-18(32-19)13-4-3-11-29-12-13/h1-12,33H,(H,30,31,32)
InChIKeyMUVPOVUQKRVMAY-UHFFFAOYSA-N
XLogP5.75
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol with MolForge

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Related Compounds

N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435
(2S)-1,1,1-trifluoro-2-(5-methylfuran-2-yl)-4-[(2-pyridin-3-ylquinazolin-4-yl)amino]butan-2-ol
CID 30282621
2-phenyl-N-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
CID 11162349
4-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 135127906
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol (CID 127027820) is 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol is OC(c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol?
The InChIKey is MUVPOVUQKRVMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O/c23-21(24,25)20(33,22(26,27)28)14-7-9-15(10-8-14)30-19-16-5-1-2-6-17(16)31-18(32-19)13-4-3-11-29-12-13/h1-12,33H,(H,30,31,32).
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol has a molecular weight of 464.37 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[(2-pyridin-3-ylquinazolin-4-yl)amino]phenyl]propan-2-ol is sourced from PubChem (CID 127027820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).