1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride

C23H24ClN4- — CID 53347667

IUPAC1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride
SMILESCN1CCc2c1nc1ccccc1c2/N=C1\CCCN1Cc1ccccc1.[Cl-]
InChIInChI=1S/C23H24N4.ClH/c1-26-15-13-19-22(18-10-5-6-11-20(18)24-23(19)26)25-21-12-7-14-27(21)16-17-8-3-2-4-9-17;/h2-6,8-11H,7,12-16H2,1H3;1H/p-1/b25-21+;
InChIKeyYJUKURVQOSZUFR-JMFMGIQESA-M
MW391.93 g/mol
LogP1.56
Rot. Bonds3

About 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride

1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride (PubChem CID 53347667) has the molecular formula C23H24ClN4- and a molecular weight of 391.93 g/mol. Its IUPAC name is 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride.

Molecular Properties

Compound Name1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride
PubChem CID53347667
Molecular FormulaC23H24ClN4-
Molecular Weight391.93 g/mol
Exact Mass391.17
IUPAC Name1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride
SMILESCN1CCc2c1nc1ccccc1c2/N=C1\CCCN1Cc1ccccc1.[Cl-]
InChIInChI=1S/C23H24N4.ClH/c1-26-15-13-19-22(18-10-5-6-11-20(18)24-23(19)26)25-21-12-7-14-27(21)16-17-8-3-2-4-9-17;/h2-6,8-11H,7,12-16H2,1H3;1H/p-1/b25-21+;
InChIKeyYJUKURVQOSZUFR-JMFMGIQESA-M
XLogP1.56
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride?
The IUPAC name of 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride (CID 53347667) is 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride.
What is the SMILES notation for 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride?
The canonical SMILES for 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride is CN1CCc2c1nc1ccccc1c2/N=C1\CCCN1Cc1ccccc1.[Cl-].
What is the InChIKey of 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride?
The InChIKey is YJUKURVQOSZUFR-JMFMGIQESA-M. The full InChI is InChI=1S/C23H24N4.ClH/c1-26-15-13-19-22(18-10-5-6-11-20(18)24-23(19)26)25-21-12-7-14-27(21)16-17-8-3-2-4-9-17;/h2-6,8-11H,7,12-16H2,1H3;1H/p-1/b25-21+;.
What are the key properties of 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride?
1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride has a molecular weight of 391.93 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)pyrrolidin-2-imine chloride is sourced from PubChem (CID 53347667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).