3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

C31H31N5O — CID 45236819

IUPAC3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3
InChIInChI=1S/C31H31N5O/c1-21(28-18-29(34-33-28)22-9-4-3-5-10-22)35(2)19-26-16-25-15-23-11-8-12-24(23)17-30(25)36(31(26)37)20-27-13-6-7-14-32-27/h3-7,9-10,13-18,21H,8,11-12,19-20H2,1-2H3,(H,33,34)
InChIKeyGAFLIBDMKFNYCT-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.52
Rot. Bonds7

About 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one (PubChem CID 45236819) has the molecular formula C31H31N5O and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
PubChem CID45236819
Molecular FormulaC31H31N5O
Molecular Weight489.62 g/mol
Exact Mass489.25
IUPAC Name3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
SMILESCC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3
InChIInChI=1S/C31H31N5O/c1-21(28-18-29(34-33-28)22-9-4-3-5-10-22)35(2)19-26-16-25-15-23-11-8-12-24(23)17-30(25)36(31(26)37)20-27-13-6-7-14-32-27/h3-7,9-10,13-18,21H,8,11-12,19-20H2,1-2H3,(H,33,34)
InChIKeyGAFLIBDMKFNYCT-UHFFFAOYSA-N
XLogP5.52
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one with MolForge

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Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-1-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 91834243
7-methyl-3-[[methyl(2-phenylethyl)amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42162824
1-methyl-6-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136661783
7-chloro-3-[(2-methylpropylamino)methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42398183
1-[(2-chlorophenyl)methyl]-5-[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one
CID 45205674
(5S)-1-[(2-chlorophenyl)methyl]-5-[methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]azepan-2-one
CID 42482224
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29256594
5-(2-chloroprop-2-enyl)-7-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 42485037
1-(2-amino-2-oxoethyl)-N-methyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]piperidine-4-carboxamide
CID 70719081
3-(4-methylphenyl)-5-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
CID 2811840
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62612535
2-phenyl-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-thione
CID 940591

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The IUPAC name of 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one (CID 45236819) is 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one.
What is the SMILES notation for 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The canonical SMILES for 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one is CC(c1cc(-c2ccccc2)n[nH]1)N(C)Cc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3.
What is the InChIKey of 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The InChIKey is GAFLIBDMKFNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O/c1-21(28-18-29(34-33-28)22-9-4-3-5-10-22)35(2)19-26-16-25-15-23-11-8-12-24(23)17-30(25)36(31(26)37)20-27-13-6-7-14-32-27/h3-7,9-10,13-18,21H,8,11-12,19-20H2,1-2H3,(H,33,34).
What are the key properties of 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one has a molecular weight of 489.62 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[1-(3-phenyl-1H-pyrazol-5-yl)ethyl]amino]methyl]-1-(pyridin-2-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one is sourced from PubChem (CID 45236819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).