1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol

C22H23F2N3O3 — CID 133362572

IUPAC1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3nc(C(F)F)nc4ccccc34)CC2)c1
InChIInChI=1S/C22H23F2N3O3/c1-29-15-11-14(12-16(13-15)30-2)22(28)7-9-27(10-8-22)21-17-5-3-4-6-18(17)25-20(26-21)19(23)24/h3-6,11-13,19,28H,7-10H2,1-2H3
InChIKeyARMKPYDUEGPVJB-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.07
Rot. Bonds5

About 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol

1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol (PubChem CID 133362572) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol
PubChem CID133362572
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC Name1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol
SMILESCOc1cc(OC)cc(C2(O)CCN(c3nc(C(F)F)nc4ccccc34)CC2)c1
InChIInChI=1S/C22H23F2N3O3/c1-29-15-11-14(12-16(13-15)30-2)22(28)7-9-27(10-8-22)21-17-5-3-4-6-18(17)25-20(26-21)19(23)24/h3-6,11-13,19,28H,7-10H2,1-2H3
InChIKeyARMKPYDUEGPVJB-UHFFFAOYSA-N
XLogP4.07
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol (CID 133362572) is 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol is COc1cc(OC)cc(C2(O)CCN(c3nc(C(F)F)nc4ccccc34)CC2)c1.
What is the InChIKey of 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
The InChIKey is ARMKPYDUEGPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-29-15-11-14(12-16(13-15)30-2)22(28)7-9-27(10-8-22)21-17-5-3-4-6-18(17)25-20(26-21)19(23)24/h3-6,11-13,19,28H,7-10H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol?
1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol has a molecular weight of 415.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)quinazolin-4-yl]-4-(3,5-dimethoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 133362572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).