4-butyl-6-fluoro-2-phenylquinoline

C19H18FN — CID 141464456

IUPAC4-butyl-6-fluoro-2-phenylquinoline
SMILESCCCCc1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN/c1-2-3-7-15-12-19(14-8-5-4-6-9-14)21-18-11-10-16(20)13-17(15)18/h4-6,8-13H,2-3,7H2,1H3
InChIKeyQEMBEROLMWAGKA-UHFFFAOYSA-N
MW279.36 g/mol
LogP5.38
Rot. Bonds4

About 4-butyl-6-fluoro-2-phenylquinoline

4-butyl-6-fluoro-2-phenylquinoline (PubChem CID 141464456) has the molecular formula C19H18FN and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-butyl-6-fluoro-2-phenylquinoline.

Molecular Properties

Compound Name4-butyl-6-fluoro-2-phenylquinoline
PubChem CID141464456
Molecular FormulaC19H18FN
Molecular Weight279.36 g/mol
Exact Mass279.14
IUPAC Name4-butyl-6-fluoro-2-phenylquinoline
SMILESCCCCc1cc(-c2ccccc2)nc2ccc(F)cc12
InChIInChI=1S/C19H18FN/c1-2-3-7-15-12-19(14-8-5-4-6-9-14)21-18-11-10-16(20)13-17(15)18/h4-6,8-13H,2-3,7H2,1H3
InChIKeyQEMBEROLMWAGKA-UHFFFAOYSA-N
XLogP5.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.36
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-6-fluoro-2-phenylquinoline-4-carboxamide
CID 42750116
ethyl 3-[6-fluoro-2-(3-methoxyphenyl)quinolin-4-yl]propanoate
CID 170330860
4-butyl-2-methyl-6-phenylpyrimidine
CID 71620016
4-butyl-3-chloro-6-phenylpyridazine
CID 140576046
2-(3-butylphenyl)-4-phenylquinoline
CID 141357650
2-(3,5-dimethylphenyl)-6-fluoro-4-(2-methylpropyl)quinoline
CID 155627713
6-fluoro-2-[4-[2-(methoxymethyl)phenyl]phenyl]-4-methylquinoline
CID 170148664
disodium;(6-fluoro-2-phenylquinolin-4-yl) phosphate
CID 24991372
3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
3-[7-fluoro-2-(4-methylphenyl)quinolin-4-yl]propanoic acid
CID 170330558
4-butyl-6-phenylpyrimidine
CID 71620017
(4-butyl-6-phenyl-3-pyridinyl)-trimethylsilane
CID 140738941

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-fluoro-2-phenylquinoline?
The IUPAC name of 4-butyl-6-fluoro-2-phenylquinoline (CID 141464456) is 4-butyl-6-fluoro-2-phenylquinoline.
What is the SMILES notation for 4-butyl-6-fluoro-2-phenylquinoline?
The canonical SMILES for 4-butyl-6-fluoro-2-phenylquinoline is CCCCc1cc(-c2ccccc2)nc2ccc(F)cc12.
What is the InChIKey of 4-butyl-6-fluoro-2-phenylquinoline?
The InChIKey is QEMBEROLMWAGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN/c1-2-3-7-15-12-19(14-8-5-4-6-9-14)21-18-11-10-16(20)13-17(15)18/h4-6,8-13H,2-3,7H2,1H3.
What are the key properties of 4-butyl-6-fluoro-2-phenylquinoline?
4-butyl-6-fluoro-2-phenylquinoline has a molecular weight of 279.36 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-fluoro-2-phenylquinoline is sourced from PubChem (CID 141464456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).