7-(2-methylpropyl)-3-phenylisoquinoline

C19H19N — CID 170528428

IUPAC7-(2-methylpropyl)-3-phenylisoquinoline
SMILESCC(C)Cc1ccc2cc(-c3ccccc3)ncc2c1
InChIInChI=1S/C19H19N/c1-14(2)10-15-8-9-17-12-19(20-13-18(17)11-15)16-6-4-3-5-7-16/h3-9,11-14H,10H2,1-2H3
InChIKeyHOVHWBLUDPYKFS-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.10
Rot. Bonds3

About 7-(2-methylpropyl)-3-phenylisoquinoline

7-(2-methylpropyl)-3-phenylisoquinoline (PubChem CID 170528428) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-(2-methylpropyl)-3-phenylisoquinoline.

Molecular Properties

Compound Name7-(2-methylpropyl)-3-phenylisoquinoline
PubChem CID170528428
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name7-(2-methylpropyl)-3-phenylisoquinoline
SMILESCC(C)Cc1ccc2cc(-c3ccccc3)ncc2c1
InChIInChI=1S/C19H19N/c1-14(2)10-15-8-9-17-12-19(20-13-18(17)11-15)16-6-4-3-5-7-16/h3-9,11-14H,10H2,1-2H3
InChIKeyHOVHWBLUDPYKFS-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-[4-(2-methylpropyl)phenyl]phenyl]isoquinoline
CID 170539197
CID 140765379
CID 140765379
1,3-ditert-butyl-5-(2-methylpropyl)benzene;2-(2-methylpropyl)naphthalene
CID 159258781
6-methoxy-3-phenylisoquinoline
CID 68806176
2-[4-(2-methylpropyl)phenyl]-4-(naphthalen-2-ylmethyl)-6-phenyl-1,3,5-triazine
CID 131966641
dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-phenylsilane
CID 140720405
3-azulen-2-ylisoquinoline
CID 139326489
2-(4-methylphenyl)-5-(2-methylpropyl)pyridine
CID 71106004
7-nitro-3-phenylisoquinoline
CID 102237044
4-(2-methylpropyl)-5-(1-methylsiletan-1-yl)-2-phenylpyridine
CID 140728004
deuterio-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-bis(trideuteriomethyl)silane
CID 159672658
3-(2-methylpropyl)quinoline
CID 12072851

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-3-phenylisoquinoline?
The IUPAC name of 7-(2-methylpropyl)-3-phenylisoquinoline (CID 170528428) is 7-(2-methylpropyl)-3-phenylisoquinoline.
What is the SMILES notation for 7-(2-methylpropyl)-3-phenylisoquinoline?
The canonical SMILES for 7-(2-methylpropyl)-3-phenylisoquinoline is CC(C)Cc1ccc2cc(-c3ccccc3)ncc2c1.
What is the InChIKey of 7-(2-methylpropyl)-3-phenylisoquinoline?
The InChIKey is HOVHWBLUDPYKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-14(2)10-15-8-9-17-12-19(20-13-18(17)11-15)16-6-4-3-5-7-16/h3-9,11-14H,10H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-3-phenylisoquinoline?
7-(2-methylpropyl)-3-phenylisoquinoline has a molecular weight of 261.37 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-3-phenylisoquinoline is sourced from PubChem (CID 170528428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).