6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline

C15H18FN3 — CID 59599691

IUPAC6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ncc(CN2c3ccc(F)cc3CCC2C)[nH]1
InChIInChI=1S/C15H18FN3/c1-10-3-4-12-7-13(16)5-6-15(12)19(10)9-14-8-17-11(2)18-14/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRCDGAPCUPJETKJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.20
Rot. Bonds2

About 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline

6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 59599691) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID59599691
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCc1ncc(CN2c3ccc(F)cc3CCC2C)[nH]1
InChIInChI=1S/C15H18FN3/c1-10-3-4-12-7-13(16)5-6-15(12)19(10)9-14-8-17-11(2)18-14/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRCDGAPCUPJETKJ-UHFFFAOYSA-N
XLogP3.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline (CID 59599691) is 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline is Cc1ncc(CN2c3ccc(F)cc3CCC2C)[nH]1.
What is the InChIKey of 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is RCDGAPCUPJETKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-3-4-12-7-13(16)5-6-15(12)19(10)9-14-8-17-11(2)18-14/h5-8,10H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline?
6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 259.33 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 59599691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).