4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline

C19H23F2NO — CID 136576079

IUPAC4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
SMILESCCc1cccc2c(OCC3CC(F)(F)C3)cc(C(C)C)nc12
InChIInChI=1S/C19H23F2NO/c1-4-14-6-5-7-15-17(8-16(12(2)3)22-18(14)15)23-11-13-9-19(20,21)10-13/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyBZYYVQCAPZTNEW-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.34
Rot. Bonds5

About 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline

4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline (PubChem CID 136576079) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
PubChem CID136576079
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC Name4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
SMILESCCc1cccc2c(OCC3CC(F)(F)C3)cc(C(C)C)nc12
InChIInChI=1S/C19H23F2NO/c1-4-14-6-5-7-15-17(8-16(12(2)3)22-18(14)15)23-11-13-9-19(20,21)10-13/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyBZYYVQCAPZTNEW-UHFFFAOYSA-N
XLogP5.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline with MolForge

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Related Compounds

8-ethyl-2-propan-2-ylquinoline-4-carbothioamide
CID 82447982
1-(8-ethyl-2-propan-2-ylquinolin-4-yl)ethanone
CID 82447995
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
CID 166839557
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
N-ethyl-2-propan-2-yl-8-propylquinolin-4-amine
CID 63484564
2-propan-2-yl-8-propoxyquinolin-4-amine
CID 62203402
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557749
1-[2-[(3,3-difluorocyclopentyl)methoxy]phenyl]ethanol
CID 114224199
6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
CID 177245310
6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
CID 126954698

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline?
The IUPAC name of 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline (CID 136576079) is 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline?
The canonical SMILES for 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline is CCc1cccc2c(OCC3CC(F)(F)C3)cc(C(C)C)nc12.
What is the InChIKey of 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline?
The InChIKey is BZYYVQCAPZTNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-4-14-6-5-7-15-17(8-16(12(2)3)22-18(14)15)23-11-13-9-19(20,21)10-13/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline?
4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline has a molecular weight of 319.40 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline is sourced from PubChem (CID 136576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).