6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

C29H35FN4O2 — CID 146357398

IUPAC6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCN1CCC(Cc2cn(Cc3ccc(OC)cc3)nc2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C29H35FN4O2/c1-4-33-15-13-20(14-16-33)17-22-19-34(18-21-5-7-23(36-3)8-6-21)31-29(22)25-9-11-26-24(28(25)30)10-12-27(35)32(26)2/h5-9,11,19-20H,4,10,12-18H2,1-3H3
InChIKeyBGSQCLQUFXGCTM-UHFFFAOYSA-N
MW490.62 g/mol
LogP4.93
Rot. Bonds7

About 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one

6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 146357398) has the molecular formula C29H35FN4O2 and a molecular weight of 490.62 g/mol. Its IUPAC name is 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID146357398
Molecular FormulaC29H35FN4O2
Molecular Weight490.62 g/mol
Exact Mass490.27
IUPAC Name6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCN1CCC(Cc2cn(Cc3ccc(OC)cc3)nc2-c2ccc3c(c2F)CCC(=O)N3C)CC1
InChIInChI=1S/C29H35FN4O2/c1-4-33-15-13-20(14-16-33)17-22-19-34(18-21-5-7-23(36-3)8-6-21)31-29(22)25-9-11-26-24(28(25)30)10-12-27(35)32(26)2/h5-9,11,19-20H,4,10,12-18H2,1-3H3
InChIKeyBGSQCLQUFXGCTM-UHFFFAOYSA-N
XLogP4.93
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

6-[3-[1-(1-acetylpiperidin-4-yl)ethyl]-1-[[4-(methylamino)phenyl]methyl]pyrazol-4-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one
CID 163568358
1-[4-[[1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]methyl]piperidin-1-yl]ethanone
CID 145071423
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
2-[(1-ethylpiperidin-4-yl)methyl]-6-methoxyimidazo[1,2-a]pyridine
CID 117129178
4-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-2H-phthalazin-1-one
CID 58188835
(4-ethylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 3409585
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
(4aS,8aR)-1-(2-methoxyethyl)-6-[(4-methoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 133136774
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
(3R)-1-(4-fluorophenyl)-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]pyrrolidine-2,5-dione
CID 7353562

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one (CID 146357398) is 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is CCN1CCC(Cc2cn(Cc3ccc(OC)cc3)nc2-c2ccc3c(c2F)CCC(=O)N3C)CC1.
What is the InChIKey of 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is BGSQCLQUFXGCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O2/c1-4-33-15-13-20(14-16-33)17-22-19-34(18-21-5-7-23(36-3)8-6-21)31-29(22)25-9-11-26-24(28(25)30)10-12-27(35)32(26)2/h5-9,11,19-20H,4,10,12-18H2,1-3H3.
What are the key properties of 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one?
6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 490.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1-ethylpiperidin-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-5-fluoro-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 146357398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).