4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile

C20H20N4O2 — CID 5328849

IUPAC4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(N(C)C)c3)c2cc1OC
InChIInChI=1S/C20H20N4O2/c1-24(2)15-7-5-6-14(8-15)23-20-13(11-21)12-22-17-10-19(26-4)18(25-3)9-16(17)20/h5-10,12H,1-4H3,(H,22,23)
InChIKeyOLPCFXOXZCAXNQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.93
Rot. Bonds5

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

4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5328849) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5328849
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(N(C)C)c3)c2cc1OC
InChIInChI=1S/C20H20N4O2/c1-24(2)15-7-5-6-14(8-15)23-20-13(11-21)12-22-17-10-19(26-4)18(25-3)9-16(17)20/h5-10,12H,1-4H3,(H,22,23)
InChIKeyOLPCFXOXZCAXNQ-UHFFFAOYSA-N
XLogP3.93
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
6-Methoxy-8-[(3-aminopropyl)amino]-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 16048421
8,9-Dimethoxy-4H-benzo(de)(1,6)naphthyridine
CID 122826
10,11-Dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine
CID 17754396
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
6,7-Dimethoxy-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
CID 5330468
4-[(3,5-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330472
4-[(3-Bromophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328838
4-[(3-Chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328839
4-[(3-Bromophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328840
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile (CID 5328849) is 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile is COc1cc2ncc(C#N)c(Nc3cccc(N(C)C)c3)c2cc1OC.
What is the InChIKey of 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is OLPCFXOXZCAXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(2)15-7-5-6-14(8-15)23-20-13(11-21)12-22-17-10-19(26-4)18(25-3)9-16(17)20/h5-10,12H,1-4H3,(H,22,23).
What are the key properties of 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile?
4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 348.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)anilino]-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5328849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).