2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline

C24H22F2N2 — CID 134492286

IUPAC2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline
SMILESCCc1c(Cc2ccc3ccc(F)c(C(C)C)c3n2)cc(F)c2cccnc12
InChIInChI=1S/C24H22F2N2/c1-4-18-16(13-21(26)19-6-5-11-27-24(18)19)12-17-9-7-15-8-10-20(25)22(14(2)3)23(15)28-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAXMOHJAQDSJNQG-UHFFFAOYSA-N
MW376.45 g/mol
LogP6.34
Rot. Bonds4

About 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline

2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline (PubChem CID 134492286) has the molecular formula C24H22F2N2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline.

Molecular Properties

Compound Name2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline
PubChem CID134492286
Molecular FormulaC24H22F2N2
Molecular Weight376.45 g/mol
Exact Mass376.18
IUPAC Name2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline
SMILESCCc1c(Cc2ccc3ccc(F)c(C(C)C)c3n2)cc(F)c2cccnc12
InChIInChI=1S/C24H22F2N2/c1-4-18-16(13-21(26)19-6-5-11-27-24(18)19)12-17-9-7-15-8-10-20(25)22(14(2)3)23(15)28-17/h5-11,13-14H,4,12H2,1-3H3
InChIKeyAXMOHJAQDSJNQG-UHFFFAOYSA-N
XLogP6.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline?
The IUPAC name of 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline (CID 134492286) is 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline.
What is the SMILES notation for 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline?
The canonical SMILES for 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline is CCc1c(Cc2ccc3ccc(F)c(C(C)C)c3n2)cc(F)c2cccnc12.
What is the InChIKey of 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline?
The InChIKey is AXMOHJAQDSJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2/c1-4-18-16(13-21(26)19-6-5-11-27-24(18)19)12-17-9-7-15-8-10-20(25)22(14(2)3)23(15)28-17/h5-11,13-14H,4,12H2,1-3H3.
What are the key properties of 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline?
2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline has a molecular weight of 376.45 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-ethyl-5-fluoroquinolin-7-yl)methyl]-7-fluoro-8-propan-2-ylquinoline is sourced from PubChem (CID 134492286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).