4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline

C13H12ClF2N — CID 62913699

IUPAC4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(F)c(F)cc2c(Cl)c1C(C)C
InChIInChI=1S/C13H12ClF2N/c1-6(2)12-7(3)17-11-5-10(16)9(15)4-8(11)13(12)14/h4-6H,1-3H3
InChIKeyFJMTXCJCPOXSEJ-UHFFFAOYSA-N
MW255.69 g/mol
LogP4.60
Rot. Bonds1

About 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline

4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline (PubChem CID 62913699) has the molecular formula C13H12ClF2N and a molecular weight of 255.69 g/mol. Its IUPAC name is 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
PubChem CID62913699
Molecular FormulaC13H12ClF2N
Molecular Weight255.69 g/mol
Exact Mass255.06
IUPAC Name4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
SMILESCc1nc2cc(F)c(F)cc2c(Cl)c1C(C)C
InChIInChI=1S/C13H12ClF2N/c1-6(2)12-7(3)17-11-5-10(16)9(15)4-8(11)13(12)14/h4-6H,1-3H3
InChIKeyFJMTXCJCPOXSEJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline?
The IUPAC name of 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline (CID 62913699) is 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline is Cc1nc2cc(F)c(F)cc2c(Cl)c1C(C)C.
What is the InChIKey of 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline?
The InChIKey is FJMTXCJCPOXSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N/c1-6(2)12-7(3)17-11-5-10(16)9(15)4-8(11)13(12)14/h4-6H,1-3H3.
What are the key properties of 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline?
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline has a molecular weight of 255.69 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline is sourced from PubChem (CID 62913699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).