1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one

C21H25N5O2 — CID 155490045

IUPAC1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(n3)CCC3NNCC43)C2=O)c1
InChIInChI=1S/C21H25N5O2/c1-28-15-4-2-3-14(11-15)13-25-9-10-26(21(25)27)20-8-5-16-17-12-22-24-19(17)7-6-18(16)23-20/h2-5,8,11,17,19,22,24H,6-7,9-10,12-13H2,1H3
InChIKeyWFWHMCWHMOKCAM-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.04
Rot. Bonds4

About 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one

1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 155490045) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID155490045
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(n3)CCC3NNCC43)C2=O)c1
InChIInChI=1S/C21H25N5O2/c1-28-15-4-2-3-14(11-15)13-25-9-10-26(21(25)27)20-8-5-16-17-12-22-24-19(17)7-6-18(16)23-20/h2-5,8,11,17,19,22,24H,6-7,9-10,12-13H2,1H3
InChIKeyWFWHMCWHMOKCAM-UHFFFAOYSA-N
XLogP2.04
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one with MolForge

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Related Compounds

1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 139463206
1-[(3-methoxyphenyl)methyl]-3-(1-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)imidazolidin-2-one
CID 155490053
1-[(4-fluoro-3-methylphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-11-yl)imidazolidin-2-one
CID 155490061
1-(2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indazol-7-yl)-3-[(1R)-1-(3-methoxyphenyl)ethyl]imidazolidin-2-one
CID 155490044
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-[(3-methoxyphenyl)methyl]-4-[[(2R)-1-methylpyrrolidin-2-yl]methyl]piperazin-2-one
CID 124755697
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (CID 155490045) is 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is COc1cccc(CN2CCN(c3ccc4c(n3)CCC3NNCC43)C2=O)c1.
What is the InChIKey of 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is WFWHMCWHMOKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-15-4-2-3-14(11-15)13-25-9-10-26(21(25)27)20-8-5-16-17-12-22-24-19(17)7-6-18(16)23-20/h2-5,8,11,17,19,22,24H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,9b-hexahydro-1H-pyrazolo[4,3-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 155490045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).