4-butan-2-yloxy-5-fluoro-2-methylquinoline

C14H16FNO — CID 170016452

IUPAC4-butan-2-yloxy-5-fluoro-2-methylquinoline
SMILESCCC(C)Oc1cc(C)nc2cccc(F)c12
InChIInChI=1S/C14H16FNO/c1-4-10(3)17-13-8-9(2)16-12-7-5-6-11(15)14(12)13/h5-8,10H,4H2,1-3H3
InChIKeyHFNAMOKNNASUPG-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.86
Rot. Bonds3

About 4-butan-2-yloxy-5-fluoro-2-methylquinoline

4-butan-2-yloxy-5-fluoro-2-methylquinoline (PubChem CID 170016452) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-butan-2-yloxy-5-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-butan-2-yloxy-5-fluoro-2-methylquinoline
PubChem CID170016452
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-butan-2-yloxy-5-fluoro-2-methylquinoline
SMILESCCC(C)Oc1cc(C)nc2cccc(F)c12
InChIInChI=1S/C14H16FNO/c1-4-10(3)17-13-8-9(2)16-12-7-5-6-11(15)14(12)13/h5-8,10H,4H2,1-3H3
InChIKeyHFNAMOKNNASUPG-UHFFFAOYSA-N
XLogP3.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yloxy-2-fluoro-4-methylbenzene
CID 59391433
5-(2-ethylbutoxy)-2-methylquinolin-4-amine
CID 58460399
5-fluoro-2-methyl-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxyquinoline
CID 58759709
3,4,5-trifluoro-2-methylquinoline
CID 54570448
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
CID 125426921
2-butan-2-yloxy-6-fluorobenzenecarboximidamide
CID 43609351
4,5-difluoro-2-methylquinazoline
CID 141141506
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
1-[2-methyl-5-(trifluoromethyl)quinolin-4-yl]propan-2-amine
CID 82577585
2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine
CID 82580508
bromozinc(1+);1-butan-2-yloxy-2-fluorobenzene-6-ide
CID 146001976
2-butan-2-yloxy-1,4-dimethylbenzene
CID 20737129

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-5-fluoro-2-methylquinoline?
The IUPAC name of 4-butan-2-yloxy-5-fluoro-2-methylquinoline (CID 170016452) is 4-butan-2-yloxy-5-fluoro-2-methylquinoline.
What is the SMILES notation for 4-butan-2-yloxy-5-fluoro-2-methylquinoline?
The canonical SMILES for 4-butan-2-yloxy-5-fluoro-2-methylquinoline is CCC(C)Oc1cc(C)nc2cccc(F)c12.
What is the InChIKey of 4-butan-2-yloxy-5-fluoro-2-methylquinoline?
The InChIKey is HFNAMOKNNASUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-4-10(3)17-13-8-9(2)16-12-7-5-6-11(15)14(12)13/h5-8,10H,4H2,1-3H3.
What are the key properties of 4-butan-2-yloxy-5-fluoro-2-methylquinoline?
4-butan-2-yloxy-5-fluoro-2-methylquinoline has a molecular weight of 233.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-5-fluoro-2-methylquinoline is sourced from PubChem (CID 170016452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).