4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline

C17H13ClFNO — CID 22641319

IUPAC4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
SMILESCc1cc(Cl)c2cc(F)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C17H13ClFNO/c1-11-7-14(18)13-8-15(19)17(9-16(13)20-11)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVCXWKIQMINUCPK-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.91
Rot. Bonds3

About 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline

4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline (PubChem CID 22641319) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
PubChem CID22641319
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline
SMILESCc1cc(Cl)c2cc(F)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C17H13ClFNO/c1-11-7-14(18)13-8-15(19)17(9-16(13)20-11)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKeyVCXWKIQMINUCPK-UHFFFAOYSA-N
XLogP4.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline?
The IUPAC name of 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline (CID 22641319) is 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline.
What is the SMILES notation for 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline?
The canonical SMILES for 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline is Cc1cc(Cl)c2cc(F)c(OCc3ccccc3)cc2n1.
What is the InChIKey of 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline?
The InChIKey is VCXWKIQMINUCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c1-11-7-14(18)13-8-15(19)17(9-16(13)20-11)21-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline?
4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline has a molecular weight of 301.75 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-methyl-7-phenylmethoxyquinoline is sourced from PubChem (CID 22641319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).