4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline

C14H14ClF2NO — CID 63409240

IUPAC4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2ccc(OC(F)F)cc2c(Cl)c1C(C)C
InChIInChI=1S/C14H14ClF2NO/c1-7(2)12-8(3)18-11-5-4-9(19-14(16)17)6-10(11)13(12)15/h4-7,14H,1-3H3
InChIKeyXCKHKSLPMORJLO-UHFFFAOYSA-N
MW285.72 g/mol
LogP4.92
Rot. Bonds3

About 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline

4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline (PubChem CID 63409240) has the molecular formula C14H14ClF2NO and a molecular weight of 285.72 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
PubChem CID63409240
Molecular FormulaC14H14ClF2NO
Molecular Weight285.72 g/mol
Exact Mass285.07
IUPAC Name4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2ccc(OC(F)F)cc2c(Cl)c1C(C)C
InChIInChI=1S/C14H14ClF2NO/c1-7(2)12-8(3)18-11-5-4-9(19-14(16)17)6-10(11)13(12)15/h4-7,14H,1-3H3
InChIKeyXCKHKSLPMORJLO-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.72
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline (CID 63409240) is 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline is Cc1nc2ccc(OC(F)F)cc2c(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline?
The InChIKey is XCKHKSLPMORJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2NO/c1-7(2)12-8(3)18-11-5-4-9(19-14(16)17)6-10(11)13(12)15/h4-7,14H,1-3H3.
What are the key properties of 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline?
4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline has a molecular weight of 285.72 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethoxy)-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 63409240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).