2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol

C24H27ClN6O2 — CID 138658636

IUPAC2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol
SMILESCc1cc(N)nc(C)c1CNCc1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1
InChIInChI=1S/C24H27ClN6O2/c1-13-5-20(26)29-14(2)18(13)11-27-12-22-31-30-21(33-22)8-15-6-16-9-17(25)10-28-23(16)19(7-15)24(3,4)32/h5-7,9-10,27,32H,8,11-12H2,1-4H3,(H2,26,29)
InChIKeyIYRGYHAZENEGPK-UHFFFAOYSA-N
MW466.97 g/mol
LogP3.97
Rot. Bonds7

About 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol

2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol (PubChem CID 138658636) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol
PubChem CID138658636
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol
SMILESCc1cc(N)nc(C)c1CNCc1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1
InChIInChI=1S/C24H27ClN6O2/c1-13-5-20(26)29-14(2)18(13)11-27-12-22-31-30-21(33-22)8-15-6-16-9-17(25)10-28-23(16)19(7-15)24(3,4)32/h5-7,9-10,27,32H,8,11-12H2,1-4H3,(H2,26,29)
InChIKeyIYRGYHAZENEGPK-UHFFFAOYSA-N
XLogP3.97
TPSA122.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol?
The IUPAC name of 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol (CID 138658636) is 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol?
The canonical SMILES for 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol is Cc1cc(N)nc(C)c1CNCc1nnc(Cc2cc(C(C)(C)O)c3ncc(Cl)cc3c2)o1.
What is the InChIKey of 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol?
The InChIKey is IYRGYHAZENEGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-13-5-20(26)29-14(2)18(13)11-27-12-22-31-30-21(33-22)8-15-6-16-9-17(25)10-28-23(16)19(7-15)24(3,4)32/h5-7,9-10,27,32H,8,11-12H2,1-4H3,(H2,26,29).
What are the key properties of 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol?
2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol has a molecular weight of 466.97 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-[[(6-amino-2,4-dimethyl-3-pyridinyl)methylamino]methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-chloroquinolin-8-yl]propan-2-ol is sourced from PubChem (CID 138658636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).