[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol

C23H26ClN7O2 — CID 129034251

IUPAC[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1ncc(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)[nH]1
InChIInChI=1S/C23H26ClN7O2/c1-13(2)33-21-20(24)16-10-15(6-7-17(16)28-22(21)31-8-5-9-31)23(32,18-11-25-14(3)27-18)19-12-26-29-30(19)4/h6-7,10-13,32H,5,8-9H2,1-4H3,(H,25,27)
InChIKeyDKMYHIUJYADMKL-UHFFFAOYSA-N
MW467.96 g/mol
LogP3.33
Rot. Bonds6

About [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol

[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 129034251) has the molecular formula C23H26ClN7O2 and a molecular weight of 467.96 g/mol. Its IUPAC name is [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID129034251
Molecular FormulaC23H26ClN7O2
Molecular Weight467.96 g/mol
Exact Mass467.18
IUPAC Name[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1ncc(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)[nH]1
InChIInChI=1S/C23H26ClN7O2/c1-13(2)33-21-20(24)16-10-15(6-7-17(16)28-22(21)31-8-5-9-31)23(32,18-11-25-14(3)27-18)19-12-26-29-30(19)4/h6-7,10-13,32H,5,8-9H2,1-4H3,(H,25,27)
InChIKeyDKMYHIUJYADMKL-UHFFFAOYSA-N
XLogP3.33
TPSA104.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol (CID 129034251) is [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol is Cc1ncc(C(O)(c2ccc3nc(N4CCC4)c(OC(C)C)c(Cl)c3c2)c2cnnn2C)[nH]1.
What is the InChIKey of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is DKMYHIUJYADMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O2/c1-13(2)33-21-20(24)16-10-15(6-7-17(16)28-22(21)31-8-5-9-31)23(32,18-11-25-14(3)27-18)19-12-26-29-30(19)4/h6-7,10-13,32H,5,8-9H2,1-4H3,(H,25,27).
What are the key properties of [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol?
[2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 467.96 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-yl)-4-chloro-3-propan-2-yloxyquinolin-6-yl]-(2-methyl-1H-imidazol-5-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 129034251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).