2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline

C19H18FNO3 — CID 169418540

IUPAC2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3c(F)cccc3OC)cc(C)c2cc1OC
InChIInChI=1S/C19H18FNO3/c1-11-8-15(19-13(20)6-5-7-16(19)22-2)21-14-10-18(24-4)17(23-3)9-12(11)14/h5-10H,1-4H3
InChIKeyZSJPCIOQQWNFPF-UHFFFAOYSA-N
MW327.36 g/mol
LogP4.38
Rot. Bonds4

About 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline

2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline (PubChem CID 169418540) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
PubChem CID169418540
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3c(F)cccc3OC)cc(C)c2cc1OC
InChIInChI=1S/C19H18FNO3/c1-11-8-15(19-13(20)6-5-7-16(19)22-2)21-14-10-18(24-4)17(23-3)9-12(11)14/h5-10H,1-4H3
InChIKeyZSJPCIOQQWNFPF-UHFFFAOYSA-N
XLogP4.38
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline (CID 169418540) is 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline is COc1cc2nc(-c3c(F)cccc3OC)cc(C)c2cc1OC.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline?
The InChIKey is ZSJPCIOQQWNFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-11-8-15(19-13(20)6-5-7-16(19)22-2)21-14-10-18(24-4)17(23-3)9-12(11)14/h5-10H,1-4H3.
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline?
2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline has a molecular weight of 327.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline is sourced from PubChem (CID 169418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).