6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile

C19H17N3O2 — CID 5328854

IUPAC6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C19H17N3O2/c1-12-4-6-14(7-5-12)22-19-13(10-20)11-21-16-9-18(24-3)17(23-2)8-15(16)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyJXLUYPNXIHHINO-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.18
Rot. Bonds4

About 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile

6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile (PubChem CID 5328854) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile
PubChem CID5328854
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C19H17N3O2/c1-12-4-6-14(7-5-12)22-19-13(10-20)11-21-16-9-18(24-3)17(23-2)8-15(16)19/h4-9,11H,1-3H3,(H,21,22)
InChIKeyJXLUYPNXIHHINO-UHFFFAOYSA-N
XLogP4.18
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
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
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
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
Ki-23057
CID 9850161
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile (CID 5328854) is 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile is COc1cc2ncc(C#N)c(Nc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
The InChIKey is JXLUYPNXIHHINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-12-4-6-14(7-5-12)22-19-13(10-20)11-21-16-9-18(24-3)17(23-2)8-15(16)19/h4-9,11H,1-3H3,(H,21,22).
What are the key properties of 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile?
6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile has a molecular weight of 319.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 5328854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).