1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile

C24H21N3O — CID 44562675

IUPAC1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(O)c2ccc(N3CCCC3)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C24H21N3O/c25-16-19-15-23(27-21-6-2-1-5-17(21)9-12-22(19)27)24(28)18-7-10-20(11-8-18)26-13-3-4-14-26/h1-2,5-12,15,24,28H,3-4,13-14H2
InChIKeyWSJVZWUAXRXSFC-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.65
Rot. Bonds3

About 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile

1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 44562675) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID44562675
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(O)c2ccc(N3CCCC3)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C24H21N3O/c25-16-19-15-23(27-21-6-2-1-5-17(21)9-12-22(19)27)24(28)18-7-10-20(11-8-18)26-13-3-4-14-26/h1-2,5-12,15,24,28H,3-4,13-14H2
InChIKeyWSJVZWUAXRXSFC-UHFFFAOYSA-N
XLogP4.65
TPSA51.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile (CID 44562675) is 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1cc(C(O)c2ccc(N3CCCC3)cc2)n2c1ccc1ccccc12.
What is the InChIKey of 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is WSJVZWUAXRXSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c25-16-19-15-23(27-21-6-2-1-5-17(21)9-12-22(19)27)24(28)18-7-10-20(11-8-18)26-13-3-4-14-26/h1-2,5-12,15,24,28H,3-4,13-14H2.
What are the key properties of 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile?
1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 367.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-pyrrolidin-1-ylphenyl)methyl]pyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 44562675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).