1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one

C25H19N3O2 — CID 57092134

IUPAC1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H19N3O2/c29-25-21(24-20-7-4-14-26-22(20)12-13-23(24)28-25)15-27-18-8-10-19(11-9-18)30-16-17-5-2-1-3-6-17/h1-15,21H,16H2,(H,28,29)/b27-15+
InChIKeyMAQHFCZDDIYQDS-JFLMPSFJSA-N
MW393.45 g/mol
LogP5.25
Rot. Bonds5

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

1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 57092134) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID57092134
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H19N3O2/c29-25-21(24-20-7-4-14-26-22(20)12-13-23(24)28-25)15-27-18-8-10-19(11-9-18)30-16-17-5-2-1-3-6-17/h1-15,21H,16H2,(H,28,29)/b27-15+
InChIKeyMAQHFCZDDIYQDS-JFLMPSFJSA-N
XLogP5.25
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
CID 90784526
1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
CID 91211531
11-phenyl-8-(4-phenylmethoxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 5171453
5-chloro-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90705422
4-methyl-3-[[4-(4-piperidin-1-ylbutoxy)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90702965
2-[4-[(4-methyl-2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91536921
N-[4-[(7-oxo-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]phenyl]sulfonylbenzamide
CID 91359390
6-phenylmethoxyquinolin-5-amine
CID 43809775
(12R)-12-(4-propoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 7123706
6-bromo-3-[(4-ethoxyphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 22296498
(7R)-7-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559305
4-phenylmethoxyquinoline
CID 11299312

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (CID 57092134) is 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is O=C1Nc2ccc3ncccc3c2C1/C=N/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is MAQHFCZDDIYQDS-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H19N3O2/c29-25-21(24-20-7-4-14-26-22(20)12-13-23(24)28-25)15-27-18-8-10-19(11-9-18)30-16-17-5-2-1-3-6-17/h1-15,21H,16H2,(H,28,29)/b27-15+.
What are the key properties of 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 393.45 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylmethoxyphenyl)iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 57092134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).