5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline

C16H13N3 — CID 10060534

IUPAC5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccncc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C16H13N3/c1-2-4-14-13(3-1)11-15(12-5-7-17-8-6-12)19-10-9-18-16(14)19/h1-8,11H,9-10H2
InChIKeyMFVYQGMRRKNURM-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.66
Rot. Bonds1

About 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline

5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline (PubChem CID 10060534) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
PubChem CID10060534
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline
SMILESC1=C(c2ccncc2)N2CCN=C2c2ccccc21
InChIInChI=1S/C16H13N3/c1-2-4-14-13(3-1)11-15(12-5-7-17-8-6-12)19-10-9-18-16(14)19/h1-8,11H,9-10H2
InChIKeyMFVYQGMRRKNURM-UHFFFAOYSA-N
XLogP2.66
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Azatadine
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(-)-Mirtazapine
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Dimetindene, (R)-
CID 12963076
(+)-Dimethindene
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CID 11000026

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The IUPAC name of 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline (CID 10060534) is 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline.
What is the SMILES notation for 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The canonical SMILES for 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline is C1=C(c2ccncc2)N2CCN=C2c2ccccc21.
What is the InChIKey of 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
The InChIKey is MFVYQGMRRKNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-4-14-13(3-1)11-15(12-5-7-17-8-6-12)19-10-9-18-16(14)19/h1-8,11H,9-10H2.
What are the key properties of 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline?
5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline has a molecular weight of 247.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2,3-dihydroimidazo[2,1-a]isoquinoline is sourced from PubChem (CID 10060534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).