1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one

C24H24N4O — CID 90784526

IUPAC1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H24N4O/c29-24-20(23-19-5-4-12-25-21(19)10-11-22(23)27-24)15-26-18-8-6-17(7-9-18)16-28-13-2-1-3-14-28/h4-12,15,20H,1-3,13-14,16H2,(H,27,29)/b26-15+
InChIKeyIMMWKQZARDDEOC-CVKSISIWSA-N
MW384.48 g/mol
LogP4.66
Rot. Bonds4

About 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one

1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 90784526) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID90784526
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C24H24N4O/c29-24-20(23-19-5-4-12-25-21(19)10-11-22(23)27-24)15-26-18-8-6-17(7-9-18)16-28-13-2-1-3-14-28/h4-12,15,20H,1-3,13-14,16H2,(H,27,29)/b26-15+
InChIKeyIMMWKQZARDDEOC-CVKSISIWSA-N
XLogP4.66
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
CID 57092134
1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
CID 91211531
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91573470
N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]pyridine-2-sulfonamide
CID 91271597
4-chloro-6-(piperidin-1-ylmethyl)quinoline
CID 138974871
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
6-fluoro-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90873924
4-[[4-(2-pyrrolidin-1-ylethyl)phenyl]iminomethyl]-2,4-dihydro-1H-isoquinolin-3-one
CID 91600042
2-oxo-3-[C-phenyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindole-5-sulfonamide
CID 123445843
4-fluoro-3-[[3-fluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91475690
2,5-dimethyl-N-[3-[2-oxo-3-[[4-(2-pyrrolidin-1-ylethyl)phenyl]iminomethyl]-1,3-dihydroindole-6-carbonyl]phenyl]pyrazole-3-carboxamide
CID 91093202

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (CID 90784526) is 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is O=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is IMMWKQZARDDEOC-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24-20(23-19-5-4-12-25-21(19)10-11-22(23)27-24)15-26-18-8-6-17(7-9-18)16-28-13-2-1-3-14-28/h4-12,15,20H,1-3,13-14,16H2,(H,27,29)/b26-15+.
What are the key properties of 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 384.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 90784526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).