7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline

C14H13ClF3NO — CID 142046860

IUPAC7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
SMILESCc1cc2c(C(F)(F)F)cc(OC(C)C)nc2cc1Cl
InChIInChI=1S/C14H13ClF3NO/c1-7(2)20-13-5-10(14(16,17)18)9-4-8(3)11(15)6-12(9)19-13/h4-7H,1-3H3
InChIKeyCWGNPUIMQMXWAJ-UHFFFAOYSA-N
MW303.71 g/mol
LogP5.00
Rot. Bonds2

About 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline

7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline (PubChem CID 142046860) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
PubChem CID142046860
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
SMILESCc1cc2c(C(F)(F)F)cc(OC(C)C)nc2cc1Cl
InChIInChI=1S/C14H13ClF3NO/c1-7(2)20-13-5-10(14(16,17)18)9-4-8(3)11(15)6-12(9)19-13/h4-7H,1-3H3
InChIKeyCWGNPUIMQMXWAJ-UHFFFAOYSA-N
XLogP5.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.71
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethoxy-2-[2-propan-2-yloxy-4-(trifluoromethyl)quinolin-6-yl]butan-2-ol
CID 22279273
(2R,3R)-2,3-dimethyl-7-propan-2-yloxy-1-(2,2,2-trifluoroethyl)-9-(trifluoromethyl)-2,3-dihydropyrido[3,2-g][1,4]benzoxazine
CID 23391833
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067
1-chloro-5-(difluoromethoxy)-2-methyl-4-(trifluoromethyl)benzene
CID 171004612
(2R)-1-[6-bromo-2-propan-2-yloxy-4-(trifluoromethyl)quinolin-5-yl]oxypropan-2-amine
CID 69317048
7-chloro-N-ethyl-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722072
2-fluoro-4-methyl-6-propan-2-yloxypyridine
CID 130057955
2-chloro-5-fluoro-6-methyl-3-(trifluoromethyl)pyridine
CID 145012968
2-(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-6-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 10926600
4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline
CID 63743211

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The IUPAC name of 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline (CID 142046860) is 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The canonical SMILES for 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline is Cc1cc2c(C(F)(F)F)cc(OC(C)C)nc2cc1Cl.
What is the InChIKey of 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
The InChIKey is CWGNPUIMQMXWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c1-7(2)20-13-5-10(14(16,17)18)9-4-8(3)11(15)6-12(9)19-13/h4-7H,1-3H3.
What are the key properties of 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline?
7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline has a molecular weight of 303.71 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 142046860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).