3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline

C18H15N — CID 132527704

IUPAC3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc3n2CCc2ccccc2-3)cc1
InChIInChI=1S/C18H15N/c1-2-7-15(8-3-1)17-10-11-18-16-9-5-4-6-14(16)12-13-19(17)18/h1-11H,12-13H2
InChIKeyBBFQQZBFUDBWAI-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.38
Rot. Bonds1

About 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline

3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 132527704) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID132527704
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESc1ccc(-c2ccc3n2CCc2ccccc2-3)cc1
InChIInChI=1S/C18H15N/c1-2-7-15(8-3-1)17-10-11-18-16-9-5-4-6-14(16)12-13-19(17)18/h1-11H,12-13H2
InChIKeyBBFQQZBFUDBWAI-UHFFFAOYSA-N
XLogP4.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-dihydrobenzo[a]quinolizine-4-thione
CID 90992606
5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 66925518
2-amino-1-(5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone
CID 67429784
4-chloro-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122642055
2-(4-bromophenyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 778929
5-bromo-12-phenyl-11-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1,3(8),4,6,12,15,17,19-octaene-14,21-dione
CID 164669690
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2-phenyl-3-propan-2-yl-4,5-dihydrobenzo[e]indole
CID 71122817
3-(5,6-dihydropyrazolo[5,1-a]isoquinolin-2-yl)phenol
CID 12948313
2,3-dihydroinden-1-ylidenemethanediol
CID 14337503
2-tert-butyl-1-methylidene-3,4-dihydroisoquinoline
CID 59315433

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 132527704) is 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline is c1ccc(-c2ccc3n2CCc2ccccc2-3)cc1.
What is the InChIKey of 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is BBFQQZBFUDBWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-2-7-15(8-3-1)17-10-11-18-16-9-5-4-6-14(16)12-13-19(17)18/h1-11H,12-13H2.
What are the key properties of 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 245.33 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 132527704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).