azane;1,4-dimethyl-3-phenylisoquinoline

C17H18N2 — CID 175418789

IUPACazane;1,4-dimethyl-3-phenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(C)c2ccccc12.N
InChIInChI=1S/C17H15N.H3N/c1-12-15-10-6-7-11-16(15)13(2)18-17(12)14-8-4-3-5-9-14;/h3-11H,1-2H3;1H3
InChIKeyWJQGPFXJJZCHID-UHFFFAOYSA-N
MW250.35 g/mol
LogP4.68
Rot. Bonds1

About azane;1,4-dimethyl-3-phenylisoquinoline

azane;1,4-dimethyl-3-phenylisoquinoline (PubChem CID 175418789) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is azane;1,4-dimethyl-3-phenylisoquinoline.

Molecular Properties

Compound Nameazane;1,4-dimethyl-3-phenylisoquinoline
PubChem CID175418789
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Nameazane;1,4-dimethyl-3-phenylisoquinoline
SMILESCc1nc(-c2ccccc2)c(C)c2ccccc12.N
InChIInChI=1S/C17H15N.H3N/c1-12-15-10-6-7-11-16(15)13(2)18-17(12)14-8-4-3-5-9-14;/h3-11H,1-2H3;1H3
InChIKeyWJQGPFXJJZCHID-UHFFFAOYSA-N
XLogP4.68
TPSA47.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1,4-dimethyl-3-phenylisoquinoline?
The IUPAC name of azane;1,4-dimethyl-3-phenylisoquinoline (CID 175418789) is azane;1,4-dimethyl-3-phenylisoquinoline.
What is the SMILES notation for azane;1,4-dimethyl-3-phenylisoquinoline?
The canonical SMILES for azane;1,4-dimethyl-3-phenylisoquinoline is Cc1nc(-c2ccccc2)c(C)c2ccccc12.N.
What is the InChIKey of azane;1,4-dimethyl-3-phenylisoquinoline?
The InChIKey is WJQGPFXJJZCHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N.H3N/c1-12-15-10-6-7-11-16(15)13(2)18-17(12)14-8-4-3-5-9-14;/h3-11H,1-2H3;1H3.
What are the key properties of azane;1,4-dimethyl-3-phenylisoquinoline?
azane;1,4-dimethyl-3-phenylisoquinoline has a molecular weight of 250.35 g/mol, XLogP of 4.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,4-dimethyl-3-phenylisoquinoline is sourced from PubChem (CID 175418789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).