8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline

C21H19ClF2N6O — CID 142423785

IUPAC8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline
SMILESFC1(F)COCCC1n1c(Cn2cc(C3CC3)nn2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C21H19ClF2N6O/c22-13-3-4-15-14(7-13)20-16(8-25-15)26-19(10-29-9-17(27-28-29)12-1-2-12)30(20)18-5-6-31-11-21(18,23)24/h3-4,7-9,12,18H,1-2,5-6,10-11H2
InChIKeyAFSJECQGCYZDGF-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.35
Rot. Bonds4

About 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline

8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline (PubChem CID 142423785) has the molecular formula C21H19ClF2N6O and a molecular weight of 444.87 g/mol. Its IUPAC name is 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline
PubChem CID142423785
Molecular FormulaC21H19ClF2N6O
Molecular Weight444.87 g/mol
Exact Mass444.13
IUPAC Name8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline
SMILESFC1(F)COCCC1n1c(Cn2cc(C3CC3)nn2)nc2cnc3ccc(Cl)cc3c21
InChIInChI=1S/C21H19ClF2N6O/c22-13-3-4-15-14(7-13)20-16(8-25-15)26-19(10-29-9-17(27-28-29)12-1-2-12)30(20)18-5-6-31-11-21(18,23)24/h3-4,7-9,12,18H,1-2,5-6,10-11H2
InChIKeyAFSJECQGCYZDGF-UHFFFAOYSA-N
XLogP4.35
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline?
The IUPAC name of 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline (CID 142423785) is 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline?
The canonical SMILES for 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline is FC1(F)COCCC1n1c(Cn2cc(C3CC3)nn2)nc2cnc3ccc(Cl)cc3c21.
What is the InChIKey of 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline?
The InChIKey is AFSJECQGCYZDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N6O/c22-13-3-4-15-14(7-13)20-16(8-25-15)26-19(10-29-9-17(27-28-29)12-1-2-12)30(20)18-5-6-31-11-21(18,23)24/h3-4,7-9,12,18H,1-2,5-6,10-11H2.
What are the key properties of 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline?
8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline has a molecular weight of 444.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3,3-difluorooxan-4-yl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 142423785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).