3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane

C23H25ClFN3O — CID 160774883

IUPAC3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane
SMILESC.CC(=O)NCc1cc2c(C)c[nH]c2cc1F.Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C12H13FN2O.C10H8ClN.CH4/c1-7-5-15-12-4-11(13)9(3-10(7)12)6-14-8(2)16;1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h3-5,15H,6H2,1-2H3,(H,14,16);2-6H,1H3;1H4
InChIKeyRZUVCWVHFPHJDN-UHFFFAOYSA-N
MW413.92 g/mol
LogP6.08
Rot. Bonds2

About 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane

3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane (PubChem CID 160774883) has the molecular formula C23H25ClFN3O and a molecular weight of 413.92 g/mol. Its IUPAC name is 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane.

Molecular Properties

Compound Name3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane
PubChem CID160774883
Molecular FormulaC23H25ClFN3O
Molecular Weight413.92 g/mol
Exact Mass413.17
IUPAC Name3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane
SMILESC.CC(=O)NCc1cc2c(C)c[nH]c2cc1F.Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C12H13FN2O.C10H8ClN.CH4/c1-7-5-15-12-4-11(13)9(3-10(7)12)6-14-8(2)16;1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h3-5,15H,6H2,1-2H3,(H,14,16);2-6H,1H3;1H4
InChIKeyRZUVCWVHFPHJDN-UHFFFAOYSA-N
XLogP6.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.92
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane?
The IUPAC name of 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane (CID 160774883) is 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane.
What is the SMILES notation for 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane?
The canonical SMILES for 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane is C.CC(=O)NCc1cc2c(C)c[nH]c2cc1F.Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane?
The InChIKey is RZUVCWVHFPHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.C10H8ClN.CH4/c1-7-5-15-12-4-11(13)9(3-10(7)12)6-14-8(2)16;1-7-2-3-10-8(4-7)5-9(11)6-12-10;/h3-5,15H,6H2,1-2H3,(H,14,16);2-6H,1H3;1H4.
What are the key properties of 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane?
3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane has a molecular weight of 413.92 g/mol, XLogP of 6.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methylquinoline;N-[(6-fluoro-3-methyl-1H-indol-5-yl)methyl]acetamide;methane is sourced from PubChem (CID 160774883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).