8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one

C18H21FN4O — CID 72844498

IUPAC8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(CCCc1nccn1C)Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C18H21FN4O/c1-22(9-4-7-17-20-8-10-23(17)2)12-13-11-16(24)14-5-3-6-15(19)18(14)21-13/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,21,24)
InChIKeyWPZPZBBOPSFQRT-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.47
Rot. Bonds6

About 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one

8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one (PubChem CID 72844498) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
PubChem CID72844498
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one
SMILESCN(CCCc1nccn1C)Cc1cc(=O)c2cccc(F)c2[nH]1
InChIInChI=1S/C18H21FN4O/c1-22(9-4-7-17-20-8-10-23(17)2)12-13-11-16(24)14-5-3-6-15(19)18(14)21-13/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,21,24)
InChIKeyWPZPZBBOPSFQRT-UHFFFAOYSA-N
XLogP2.47
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one (CID 72844498) is 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one is CN(CCCc1nccn1C)Cc1cc(=O)c2cccc(F)c2[nH]1.
What is the InChIKey of 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one?
The InChIKey is WPZPZBBOPSFQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22(9-4-7-17-20-8-10-23(17)2)12-13-11-16(24)14-5-3-6-15(19)18(14)21-13/h3,5-6,8,10-11H,4,7,9,12H2,1-2H3,(H,21,24).
What are the key properties of 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one has a molecular weight of 328.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72844498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).