9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline

C19H16N2 — CID 138616406

IUPAC9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline
SMILESCc1cnc(-c2cccc3cn4cccc4cc23)cc1C
InChIInChI=1S/C19H16N2/c1-13-9-19(20-11-14(13)2)17-7-3-5-15-12-21-8-4-6-16(21)10-18(15)17/h3-12H,1-2H3
InChIKeyJQSRYNNZAUJOAW-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.77
Rot. Bonds1

About 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline

9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline (PubChem CID 138616406) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline.

Molecular Properties

Compound Name9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline
PubChem CID138616406
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline
SMILESCc1cnc(-c2cccc3cn4cccc4cc23)cc1C
InChIInChI=1S/C19H16N2/c1-13-9-19(20-11-14(13)2)17-7-3-5-15-12-21-8-4-6-16(21)10-18(15)17/h3-12H,1-2H3
InChIKeyJQSRYNNZAUJOAW-UHFFFAOYSA-N
XLogP4.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline?
The IUPAC name of 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline (CID 138616406) is 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline.
What is the SMILES notation for 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline?
The canonical SMILES for 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline is Cc1cnc(-c2cccc3cn4cccc4cc23)cc1C.
What is the InChIKey of 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline?
The InChIKey is JQSRYNNZAUJOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-13-9-19(20-11-14(13)2)17-7-3-5-15-12-21-8-4-6-16(21)10-18(15)17/h3-12H,1-2H3.
What are the key properties of 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline?
9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline has a molecular weight of 272.35 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dimethyl-2-pyridinyl)pyrrolo[1,2-b]isoquinoline is sourced from PubChem (CID 138616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).