5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid

C30H24FN3O2 — CID 174803754

IUPAC5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
SMILESCc1ccc2c(F)cccc2n1.O=C(O)Cn1cc(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C20H16N2O2.C10H8FN/c23-20(24)13-22-12-15(17-6-2-4-8-19(17)22)11-16-10-9-14-5-1-3-7-18(14)21-16;1-7-5-6-8-9(11)3-2-4-10(8)12-7/h1-10,12H,11,13H2,(H,23,24);2-6H,1H3
InChIKeyJYZKSDDOZAJZTJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP6.55
Rot. Bonds4

About 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid

5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid (PubChem CID 174803754) has the molecular formula C30H24FN3O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
PubChem CID174803754
Molecular FormulaC30H24FN3O2
Molecular Weight477.54 g/mol
Exact Mass477.19
IUPAC Name5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid
SMILESCc1ccc2c(F)cccc2n1.O=C(O)Cn1cc(Cc2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C20H16N2O2.C10H8FN/c23-20(24)13-22-12-15(17-6-2-4-8-19(17)22)11-16-10-9-14-5-1-3-7-18(14)21-16;1-7-5-6-8-9(11)3-2-4-10(8)12-7/h1-10,12H,11,13H2,(H,23,24);2-6H,1H3
InChIKeyJYZKSDDOZAJZTJ-UHFFFAOYSA-N
XLogP6.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid?
The IUPAC name of 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid (CID 174803754) is 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid.
What is the SMILES notation for 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid?
The canonical SMILES for 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid is Cc1ccc2c(F)cccc2n1.O=C(O)Cn1cc(Cc2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid?
The InChIKey is JYZKSDDOZAJZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2.C10H8FN/c23-20(24)13-22-12-15(17-6-2-4-8-19(17)22)11-16-10-9-14-5-1-3-7-18(14)21-16;1-7-5-6-8-9(11)3-2-4-10(8)12-7/h1-10,12H,11,13H2,(H,23,24);2-6H,1H3.
What are the key properties of 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid?
5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid has a molecular weight of 477.54 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylquinoline;2-[3-(quinolin-2-ylmethyl)indol-1-yl]acetic acid is sourced from PubChem (CID 174803754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).