8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one

C20H25N3O2 — CID 24994745

IUPAC8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1n[nH]c(=O)cc1-2
InChIInChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyFUSIKFQZDFZEIR-CQSZACIVSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds5

About 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one

8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one (PubChem CID 24994745) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one.

Molecular Properties

Compound Name8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one
PubChem CID24994745
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1n[nH]c(=O)cc1-2
InChIInChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
InChIKeyFUSIKFQZDFZEIR-CQSZACIVSA-N
XLogP2.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
8-(3-chloropropoxy)-5,6-dihydro-2H-benzo[h]cinnolin-3-one;6-(3-chloropropoxy)-3,4-dihydro-2H-naphthalen-1-one;6-hydroxy-3,4-dihydro-2H-naphthalen-1-one;8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-4,4a,5,6-tetrahydro-2H-benzo[h]cinnolin-3-one;8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-2H-benzo[h]cinnolin-3-one;6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 161106050
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
2-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-3,4-dihydroisoquinolin-1-one
CID 155528188
4-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzonitrile
CID 46866127
2-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 68715359
N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide
CID 66681824
6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-1-[4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydroquinolin-2-one
CID 66683433
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
8-chloro-1-(4-fluorophenyl)-6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-3,4-dihydroquinolin-2-one
CID 46866440
3-methyl-1-[3-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 67010532
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one?
The IUPAC name of 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one (CID 24994745) is 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one.
What is the SMILES notation for 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one?
The canonical SMILES for 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one is C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCc1n[nH]c(=O)cc1-2.
What is the InChIKey of 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one?
The InChIKey is FUSIKFQZDFZEIR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one?
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one is sourced from PubChem (CID 24994745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).