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

C21H21N5O2 — CID 139463206

IUPAC1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(n3)CCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C21H21N5O2/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/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,22,24)
InChIKeyPLDXAVSBDJWBQD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.02
Rot. Bonds4

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

1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 139463206) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID139463206
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1cccc(CN2CCN(c3ccc4c(n3)CCc3[nH]ncc3-4)C2=O)c1
InChIInChI=1S/C21H21N5O2/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/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,22,24)
InChIKeyPLDXAVSBDJWBQD-UHFFFAOYSA-N
XLogP3.02
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dihydro-3H-benzo[e]indazol-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 134564531
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(8-oxa-4,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaen-11-yl)imidazolidin-2-one
CID 139463215
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
1-[(3-methoxyphenyl)methyl]-3-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
CID 122671609
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 118238979
1-[4-(3-fluoro-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one
CID 140941584
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-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166249113
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
3-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 86675590
1-[(3-methoxyphenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435293

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one (CID 139463206) is 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is COc1cccc(CN2CCN(c3ccc4c(n3)CCc3[nH]ncc3-4)C2=O)c1.
What is the InChIKey of 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is PLDXAVSBDJWBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/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/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,22,24).
What are the key properties of 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one?
1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-3H-pyrazolo[4,5-f]quinolin-7-yl)-3-[(3-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 139463206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).