2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline

C24H24N2 — CID 54606255

IUPAC2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline
SMILESCN1CCCCC1c1cc2c3ccccc3ccn2c1-c1ccccc1
InChIInChI=1S/C24H24N2/c1-25-15-8-7-13-22(25)21-17-23-20-12-6-5-9-18(20)14-16-26(23)24(21)19-10-3-2-4-11-19/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3
InChIKeyQUDCGYPGRNZVJJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.92
Rot. Bonds2

About 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline

2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline (PubChem CID 54606255) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline
PubChem CID54606255
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline
SMILESCN1CCCCC1c1cc2c3ccccc3ccn2c1-c1ccccc1
InChIInChI=1S/C24H24N2/c1-25-15-8-7-13-22(25)21-17-23-20-12-6-5-9-18(20)14-16-26(23)24(21)19-10-3-2-4-11-19/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3
InChIKeyQUDCGYPGRNZVJJ-UHFFFAOYSA-N
XLogP5.92
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenylazepane
CID 23447707
[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]-dinaphthalen-1-ylphosphane
CID 76796467
[2-(1-methylpyrrolidin-2-yl)phenyl]-diphenylphosphane
CID 90267040
2-[2-chloro-5-(1-methylpyrrolidin-2-yl)-4-pyridinyl]isoquinolin-1-one
CID 132535313
3-(1-methylpyrrolidin-2-yl)-5-phenylpyridine
CID 19694355
14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
CID 102326334
3-(cyclohexylmethyl)-2-phenylimidazo[2,1-a]isoquinoline
CID 53299495
1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-2-one
CID 78173633
3-[6-methyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidin-4-yl]benzoic acid
CID 124992514
2-methyl-1-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]indole
CID 92981302
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 144805141
4-(1-methylpyrrolidin-2-yl)-6-phenylpyrimidine
CID 123600076

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline (CID 54606255) is 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline is CN1CCCCC1c1cc2c3ccccc3ccn2c1-c1ccccc1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline?
The InChIKey is QUDCGYPGRNZVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-25-15-8-7-13-22(25)21-17-23-20-12-6-5-9-18(20)14-16-26(23)24(21)19-10-3-2-4-11-19/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline?
2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline has a molecular weight of 340.47 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-3-phenylpyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 54606255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).