3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol

C23H17F6N5O — CID 10323420

IUPAC3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol
SMILESOCCCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C23H17F6N5O/c24-22(25,26)16-3-1-9-30-20(16)13-5-7-15-17(11-13)33-19(4-2-10-35)34-21(15)32-14-6-8-18(31-12-14)23(27,28)29/h1,3,5-9,11-12,35H,2,4,10H2,(H,32,33,34)
InChIKeyCDQFZQXFVZYTAI-UHFFFAOYSA-N
MW493.41 g/mol
LogP5.79
Rot. Bonds6

About 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol

3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol (PubChem CID 10323420) has the molecular formula C23H17F6N5O and a molecular weight of 493.41 g/mol. Its IUPAC name is 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol
PubChem CID10323420
Molecular FormulaC23H17F6N5O
Molecular Weight493.41 g/mol
Exact Mass493.13
IUPAC Name3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol
SMILESOCCCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C23H17F6N5O/c24-22(25,26)16-3-1-9-30-20(16)13-5-7-15-17(11-13)33-19(4-2-10-35)34-21(15)32-14-6-8-18(31-12-14)23(27,28)29/h1,3,5-9,11-12,35H,2,4,10H2,(H,32,33,34)
InChIKeyCDQFZQXFVZYTAI-UHFFFAOYSA-N
XLogP5.79
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.41
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol with MolForge

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Related Compounds

Osi-906
CID 11640390
Ngd-8243
CID 11247522
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
6-N-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328374
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
(5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine
CID 10238224
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol?
The IUPAC name of 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol (CID 10323420) is 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol?
The canonical SMILES for 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol is OCCCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1.
What is the InChIKey of 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol?
The InChIKey is CDQFZQXFVZYTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O/c24-22(25,26)16-3-1-9-30-20(16)13-5-7-15-17(11-13)33-19(4-2-10-35)34-21(15)32-14-6-8-18(31-12-14)23(27,28)29/h1,3,5-9,11-12,35H,2,4,10H2,(H,32,33,34).
What are the key properties of 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol?
3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol has a molecular weight of 493.41 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(trifluoromethyl)-2-pyridinyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]amino]quinazolin-2-yl]propan-1-ol is sourced from PubChem (CID 10323420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).