7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline

C18H18F2N4 — CID 91662748

IUPAC7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline
SMILESCc1cc(N2CCC(n3ccnc3)CC2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H18F2N4/c1-12-10-16(14-2-3-15(19)17(20)18(14)22-12)23-7-4-13(5-8-23)24-9-6-21-11-24/h2-3,6,9-11,13H,4-5,7-8H2,1H3
InChIKeyHTYNPVOOOJXYGY-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.86
Rot. Bonds2

About 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline

7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline (PubChem CID 91662748) has the molecular formula C18H18F2N4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline.

Molecular Properties

Compound Name7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline
PubChem CID91662748
Molecular FormulaC18H18F2N4
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline
SMILESCc1cc(N2CCC(n3ccnc3)CC2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C18H18F2N4/c1-12-10-16(14-2-3-15(19)17(20)18(14)22-12)23-7-4-13(5-8-23)24-9-6-21-11-24/h2-3,6,9-11,13H,4-5,7-8H2,1H3
InChIKeyHTYNPVOOOJXYGY-UHFFFAOYSA-N
XLogP3.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline?
The IUPAC name of 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline (CID 91662748) is 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline.
What is the SMILES notation for 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline?
The canonical SMILES for 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline is Cc1cc(N2CCC(n3ccnc3)CC2)c2ccc(F)c(F)c2n1.
What is the InChIKey of 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline?
The InChIKey is HTYNPVOOOJXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4/c1-12-10-16(14-2-3-15(19)17(20)18(14)22-12)23-7-4-13(5-8-23)24-9-6-21-11-24/h2-3,6,9-11,13H,4-5,7-8H2,1H3.
What are the key properties of 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline?
7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline has a molecular weight of 328.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-(4-imidazol-1-ylpiperidin-1-yl)-2-methylquinoline is sourced from PubChem (CID 91662748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).