8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one

C25H32FN3O2 — CID 10159464

IUPAC8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one
SMILESCOc1cc2c(c(F)c1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2(C)C
InChIInChI=1S/C25H32FN3O2/c1-25(2)14-21(30)29(3)24-18(25)13-20(31-4)17(22(24)26)15-28-19-11-8-12-27-23(19)16-9-6-5-7-10-16/h5-7,9-10,13,19,23,27-28H,8,11-12,14-15H2,1-4H3
InChIKeyIWBQQUAJJUFLFC-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.06
Rot. Bonds5

About 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one

8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one (PubChem CID 10159464) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one.

Molecular Properties

Compound Name8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one
PubChem CID10159464
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one
SMILESCOc1cc2c(c(F)c1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2(C)C
InChIInChI=1S/C25H32FN3O2/c1-25(2)14-21(30)29(3)24-18(25)13-20(31-4)17(22(24)26)15-28-19-11-8-12-27-23(19)16-9-6-5-7-10-16/h5-7,9-10,13,19,23,27-28H,8,11-12,14-15H2,1-4H3
InChIKeyIWBQQUAJJUFLFC-UHFFFAOYSA-N
XLogP4.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one?
The IUPAC name of 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one (CID 10159464) is 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one.
What is the SMILES notation for 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one?
The canonical SMILES for 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one is COc1cc2c(c(F)c1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2(C)C.
What is the InChIKey of 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one?
The InChIKey is IWBQQUAJJUFLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-25(2)14-21(30)29(3)24-18(25)13-20(31-4)17(22(24)26)15-28-19-11-8-12-27-23(19)16-9-6-5-7-10-16/h5-7,9-10,13,19,23,27-28H,8,11-12,14-15H2,1-4H3.
What are the key properties of 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one?
8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one has a molecular weight of 425.55 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-methoxy-1,4,4-trimethyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3H-quinolin-2-one is sourced from PubChem (CID 10159464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).