8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C16H15N3O — CID 62196297

IUPAC8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCNc1nc2c(cc1C#N)CCc1cc(OC)ccc1-2
InChIInChI=1S/C16H15N3O/c1-18-16-12(9-17)7-11-4-3-10-8-13(20-2)5-6-14(10)15(11)19-16/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyOZWBOWQHAAORKJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.77
Rot. Bonds2

About 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 62196297) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID62196297
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCNc1nc2c(cc1C#N)CCc1cc(OC)ccc1-2
InChIInChI=1S/C16H15N3O/c1-18-16-12(9-17)7-11-4-3-10-8-13(20-2)5-6-14(10)15(11)19-16/h5-8H,3-4H2,1-2H3,(H,18,19)
InChIKeyOZWBOWQHAAORKJ-UHFFFAOYSA-N
XLogP2.77
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 62196297) is 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is CNc1nc2c(cc1C#N)CCc1cc(OC)ccc1-2.
What is the InChIKey of 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is OZWBOWQHAAORKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-18-16-12(9-17)7-11-4-3-10-8-13(20-2)5-6-14(10)15(11)19-16/h5-8H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 62196297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).