6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline

C20H17FN2 — CID 23160905

IUPAC6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
SMILESCC1(C)Cc2cc(F)ccc2C(c2cnc3ccccc3c2)=N1
InChIInChI=1S/C20H17FN2/c1-20(2)11-14-10-16(21)7-8-17(14)19(23-20)15-9-13-5-3-4-6-18(13)22-12-15/h3-10,12H,11H2,1-2H3
InChIKeyBWCNTGQVMHKBJC-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.55
Rot. Bonds1

About 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline

6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline (PubChem CID 23160905) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline.

Molecular Properties

Compound Name6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
PubChem CID23160905
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
SMILESCC1(C)Cc2cc(F)ccc2C(c2cnc3ccccc3c2)=N1
InChIInChI=1S/C20H17FN2/c1-20(2)11-14-10-16(21)7-8-17(14)19(23-20)15-9-13-5-3-4-6-18(13)22-12-15/h3-10,12H,11H2,1-2H3
InChIKeyBWCNTGQVMHKBJC-UHFFFAOYSA-N
XLogP4.55
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline?
The IUPAC name of 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline (CID 23160905) is 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline.
What is the SMILES notation for 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline?
The canonical SMILES for 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline is CC1(C)Cc2cc(F)ccc2C(c2cnc3ccccc3c2)=N1.
What is the InChIKey of 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline?
The InChIKey is BWCNTGQVMHKBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c1-20(2)11-14-10-16(21)7-8-17(14)19(23-20)15-9-13-5-3-4-6-18(13)22-12-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline?
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline has a molecular weight of 304.37 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline is sourced from PubChem (CID 23160905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).