1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one

C22H17N5O2 — CID 91211531

IUPAC1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCc1cc(=O)[nH]n1-c1ccc(/N=C/C2C(=O)Nc3ccc4ncccc4c32)cc1
InChIInChI=1S/C22H17N5O2/c1-13-11-20(28)26-27(13)15-6-4-14(5-7-15)24-12-17-21-16-3-2-10-23-18(16)8-9-19(21)25-22(17)29/h2-12,17H,1H3,(H,25,29)(H,26,28)/b24-12+
InChIKeyZOOVUJCEJJQIIS-WYMPLXKRSA-N
MW383.41 g/mol
LogP3.46
Rot. Bonds3

About 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one

1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 91211531) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID91211531
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESCc1cc(=O)[nH]n1-c1ccc(/N=C/C2C(=O)Nc3ccc4ncccc4c32)cc1
InChIInChI=1S/C22H17N5O2/c1-13-11-20(28)26-27(13)15-6-4-14(5-7-15)24-12-17-21-16-3-2-10-23-18(16)8-9-19(21)25-22(17)29/h2-12,17H,1H3,(H,25,29)(H,26,28)/b24-12+
InChIKeyZOOVUJCEJJQIIS-WYMPLXKRSA-N
XLogP3.46
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one (CID 91211531) is 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is Cc1cc(=O)[nH]n1-c1ccc(/N=C/C2C(=O)Nc3ccc4ncccc4c32)cc1.
What is the InChIKey of 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is ZOOVUJCEJJQIIS-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-13-11-20(28)26-27(13)15-6-4-14(5-7-15)24-12-17-21-16-3-2-10-23-18(16)8-9-19(21)25-22(17)29/h2-12,17H,1H3,(H,25,29)(H,26,28)/b24-12+.
What are the key properties of 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 383.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methyl-5-oxo-1H-pyrazol-2-yl)phenyl]iminomethyl]-1,3-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 91211531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).