4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline

C14H13ClF3NO — CID 63743211

IUPAC4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2ccc(OC(C)C)cc2c1Cl
InChIInChI=1S/C14H13ClF3NO/c1-7(2)20-9-4-5-11-10(6-9)12(15)8(3)13(19-11)14(16,17)18/h4-7H,1-3H3
InChIKeyGHXDJXFFXALWHK-UHFFFAOYSA-N
MW303.71 g/mol
LogP5.00
Rot. Bonds2

About 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline

4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline (PubChem CID 63743211) has the molecular formula C14H13ClF3NO and a molecular weight of 303.71 g/mol. Its IUPAC name is 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline
PubChem CID63743211
Molecular FormulaC14H13ClF3NO
Molecular Weight303.71 g/mol
Exact Mass303.06
IUPAC Name4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2ccc(OC(C)C)cc2c1Cl
InChIInChI=1S/C14H13ClF3NO/c1-7(2)20-9-4-5-11-10(6-9)12(15)8(3)13(19-11)14(16,17)18/h4-7H,1-3H3
InChIKeyGHXDJXFFXALWHK-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

6-butan-2-yl-4-chloro-3-methyl-2-(trifluoromethyl)quinoline
CID 63743553
4-chloro-2-methyl-6-propan-2-yloxyquinoline
CID 22693554
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
6-ethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743905
2,3-dichloro-6-propan-2-yloxyquinoxaline
CID 142745885
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
CID 63409240
2-chloro-4-methyl-7-propan-2-yloxyquinoline
CID 86614083
1-ethenyl-4-propan-2-yloxy-2-(trifluoromethyl)benzene
CID 175665810
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
6-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)quinolin-4-amine
CID 110435675
2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
CID 84638076

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline (CID 63743211) is 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline is Cc1c(C(F)(F)F)nc2ccc(OC(C)C)cc2c1Cl.
What is the InChIKey of 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline?
The InChIKey is GHXDJXFFXALWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NO/c1-7(2)20-9-4-5-11-10(6-9)12(15)8(3)13(19-11)14(16,17)18/h4-7H,1-3H3.
What are the key properties of 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline?
4-chloro-3-methyl-6-propan-2-yloxy-2-(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 4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 63743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).