7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one

C24H32FN5O — CID 26397766

IUPAC7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one
SMILESCc1nn(C)c(C)c1CNCc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C24H32FN5O/c1-17-22(18(2)28(3)27-17)16-26-15-20-13-19-7-8-21(25)14-23(19)30(24(20)31)12-11-29-9-5-4-6-10-29/h7-8,13-14,26H,4-6,9-12,15-16H2,1-3H3
InChIKeyMWSQZXDGWKGHDO-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.27
Rot. Bonds7

About 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one

7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one (PubChem CID 26397766) has the molecular formula C24H32FN5O and a molecular weight of 425.55 g/mol. Its IUPAC name is 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one
PubChem CID26397766
Molecular FormulaC24H32FN5O
Molecular Weight425.55 g/mol
Exact Mass425.26
IUPAC Name7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one
SMILESCc1nn(C)c(C)c1CNCc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O
InChIInChI=1S/C24H32FN5O/c1-17-22(18(2)28(3)27-17)16-26-15-20-13-19-7-8-21(25)14-23(19)30(24(20)31)12-11-29-9-5-4-6-10-29/h7-8,13-14,26H,4-6,9-12,15-16H2,1-3H3
InChIKeyMWSQZXDGWKGHDO-UHFFFAOYSA-N
XLogP3.27
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one?
The IUPAC name of 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one (CID 26397766) is 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one.
What is the SMILES notation for 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one?
The canonical SMILES for 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one is Cc1nn(C)c(C)c1CNCc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O.
What is the InChIKey of 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one?
The InChIKey is MWSQZXDGWKGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O/c1-17-22(18(2)28(3)27-17)16-26-15-20-13-19-7-8-21(25)14-23(19)30(24(20)31)12-11-29-9-5-4-6-10-29/h7-8,13-14,26H,4-6,9-12,15-16H2,1-3H3.
What are the key properties of 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one?
7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one has a molecular weight of 425.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-piperidin-1-ylethyl)-3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]quinolin-2-one is sourced from PubChem (CID 26397766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).