3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile

C17H21N3O2 — CID 82252201

IUPAC3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile
SMILESCOc1cc2nc(C)c(CCC#N)c(N(C)C)c2cc1OC
InChIInChI=1S/C17H21N3O2/c1-11-12(7-6-8-18)17(20(2)3)13-9-15(21-4)16(22-5)10-14(13)19-11/h9-10H,6-7H2,1-5H3
InChIKeyLFQRVQMAEXVIPL-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.08
Rot. Bonds5

About 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile

3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile (PubChem CID 82252201) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile
PubChem CID82252201
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile
SMILESCOc1cc2nc(C)c(CCC#N)c(N(C)C)c2cc1OC
InChIInChI=1S/C17H21N3O2/c1-11-12(7-6-8-18)17(20(2)3)13-9-15(21-4)16(22-5)10-14(13)19-11/h9-10H,6-7H2,1-5H3
InChIKeyLFQRVQMAEXVIPL-UHFFFAOYSA-N
XLogP3.08
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile?
The IUPAC name of 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile (CID 82252201) is 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile.
What is the SMILES notation for 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile?
The canonical SMILES for 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile is COc1cc2nc(C)c(CCC#N)c(N(C)C)c2cc1OC.
What is the InChIKey of 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile?
The InChIKey is LFQRVQMAEXVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-12(7-6-8-18)17(20(2)3)13-9-15(21-4)16(22-5)10-14(13)19-11/h9-10H,6-7H2,1-5H3.
What are the key properties of 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile?
3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile has a molecular weight of 299.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)-6,7-dimethoxy-2-methylquinolin-3-yl]propanenitrile is sourced from PubChem (CID 82252201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).