3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

C18H20N4O — CID 56706969

IUPAC3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESCN(Cc1ccn[nH]1)Cc1cc2cc3c(cc2[nH]c1=O)CCC3
InChIInChI=1S/C18H20N4O/c1-22(11-16-5-6-19-21-16)10-15-8-14-7-12-3-2-4-13(12)9-17(14)20-18(15)23/h5-9H,2-4,10-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyXGALCLRVGLFGDW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds4

About 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one

3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (PubChem CID 56706969) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
PubChem CID56706969
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
SMILESCN(Cc1ccn[nH]1)Cc1cc2cc3c(cc2[nH]c1=O)CCC3
InChIInChI=1S/C18H20N4O/c1-22(11-16-5-6-19-21-16)10-15-8-14-7-12-3-2-4-13(12)9-17(14)20-18(15)23/h5-9H,2-4,10-11H2,1H3,(H,19,21)(H,20,23)
InChIKeyXGALCLRVGLFGDW-UHFFFAOYSA-N
XLogP2.37
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one with MolForge

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Related Compounds

3-[[3-(dimethylamino)piperidin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
CID 56713999
3-[[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one
CID 56703710
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
2-[3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenyl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135891008
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 42094203
3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56711403
6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56757986
3-[[1,3-benzodioxol-5-yl(methyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 11660059
3-[[(5-ethyl-2-pyridinyl)methyl-methylamino]methyl]-7-fluoro-1H-quinolin-2-one
CID 56705728
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The IUPAC name of 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one (CID 56706969) is 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one.
What is the SMILES notation for 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The canonical SMILES for 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is CN(Cc1ccn[nH]1)Cc1cc2cc3c(cc2[nH]c1=O)CCC3.
What is the InChIKey of 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
The InChIKey is XGALCLRVGLFGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(11-16-5-6-19-21-16)10-15-8-14-7-12-3-2-4-13(12)9-17(14)20-18(15)23/h5-9H,2-4,10-11H2,1H3,(H,19,21)(H,20,23).
What are the key properties of 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one?
3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,6,7,8-tetrahydrocyclopenta[g]quinolin-2-one is sourced from PubChem (CID 56706969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).