5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile

C22H23N5O — CID 118671324

IUPAC5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile
SMILESCC(=O)c1cnc2ccc(-c3ccc(C#N)nc3)cc2c1NCCCN(C)C
InChIInChI=1S/C22H23N5O/c1-15(28)20-14-26-21-8-6-16(17-5-7-18(12-23)25-13-17)11-19(21)22(20)24-9-4-10-27(2)3/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,24,26)
InChIKeyJUMNIMKKTSZLKT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.73
Rot. Bonds7

About 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile

5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile (PubChem CID 118671324) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile
PubChem CID118671324
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile
SMILESCC(=O)c1cnc2ccc(-c3ccc(C#N)nc3)cc2c1NCCCN(C)C
InChIInChI=1S/C22H23N5O/c1-15(28)20-14-26-21-8-6-16(17-5-7-18(12-23)25-13-17)11-19(21)22(20)24-9-4-10-27(2)3/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,24,26)
InChIKeyJUMNIMKKTSZLKT-UHFFFAOYSA-N
XLogP3.73
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(6-cyano-3-pyridinyl)-4-[3-(dimethylamino)propylamino]quinoline-3-carboxylate
CID 66716682
4-[3-(dimethylamino)propylamino]-6-(4-hydroxyphenyl)-N,N-dimethylquinoline-3-carboxamide
CID 66716137
1-[4-anilino-6-[6-(butylamino)-3-pyridinyl]quinolin-3-yl]ethanone
CID 161061498
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
3-chloro-6-(6-cyano-3-pyridinyl)-4-(2,5-dimethylanilino)-N,N-dimethylquinoline-2-carboxamide
CID 126530362
8'-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211919
5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
CID 86680485
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]quinolin-3-yl]ethanone
CID 66715945
1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-[[4-[2-(dimethylamino)ethyl]cyclohexyl]amino]quinolin-3-yl]ethanone;hydrochloride
CID 66716086
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(4-hydroxyphenyl)quinolin-3-yl]ethanone;hydrochloride
CID 162327792
2-[[3-carboxy-6-(dimethylamino)quinolin-4-yl]amino]ethyl-dimethylazanium
CID 7719246

Frequently Asked Questions

What is the IUPAC name of 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile (CID 118671324) is 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile is CC(=O)c1cnc2ccc(-c3ccc(C#N)nc3)cc2c1NCCCN(C)C.
What is the InChIKey of 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile?
The InChIKey is JUMNIMKKTSZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(28)20-14-26-21-8-6-16(17-5-7-18(12-23)25-13-17)11-19(21)22(20)24-9-4-10-27(2)3/h5-8,11,13-14H,4,9-10H2,1-3H3,(H,24,26).
What are the key properties of 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile?
5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile has a molecular weight of 373.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-acetyl-4-[3-(dimethylamino)propylamino]quinolin-6-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 118671324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).