4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile

C14H15N3O2 — CID 11666049

IUPAC4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(N(C)C)c2cc1OC
InChIInChI=1S/C14H15N3O2/c1-17(2)14-9(7-15)8-16-11-6-13(19-4)12(18-3)5-10(11)14/h5-6,8H,1-4H3
InChIKeyNRNCEJRXJODSBS-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.19
Rot. Bonds3

About 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile

4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 11666049) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID11666049
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(N(C)C)c2cc1OC
InChIInChI=1S/C14H15N3O2/c1-17(2)14-9(7-15)8-16-11-6-13(19-4)12(18-3)5-10(11)14/h5-6,8H,1-4H3
InChIKeyNRNCEJRXJODSBS-UHFFFAOYSA-N
XLogP2.19
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 11666049) is 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile is COc1cc2ncc(C#N)c(N(C)C)c2cc1OC.
What is the InChIKey of 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is NRNCEJRXJODSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)14-9(7-15)8-16-11-6-13(19-4)12(18-3)5-10(11)14/h5-6,8H,1-4H3.
What are the key properties of 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 11666049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).