3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile

C18H23N3O — CID 176958580

IUPAC3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
SMILESCCCCN(CCC)c1cnc2ccc(OC)cc2c1C#N
InChIInChI=1S/C18H23N3O/c1-4-6-10-21(9-5-2)18-13-20-17-8-7-14(22-3)11-15(17)16(18)12-19/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyWDKHYYWKXFVILW-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.13
Rot. Bonds7

About 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile

3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile (PubChem CID 176958580) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile.

Molecular Properties

Compound Name3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
PubChem CID176958580
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile
SMILESCCCCN(CCC)c1cnc2ccc(OC)cc2c1C#N
InChIInChI=1S/C18H23N3O/c1-4-6-10-21(9-5-2)18-13-20-17-8-7-14(22-3)11-15(17)16(18)12-19/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyWDKHYYWKXFVILW-UHFFFAOYSA-N
XLogP4.13
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-methoxy-N-methylquinazolin-4-amine
CID 21002840
N-butyl-N-ethyl-7-methoxy-2-methylquinolin-4-amine
CID 110434237
3-chloro-7-(dibutylamino)quinoline-8-carbonitrile
CID 13206525
2-butoxy-5-methoxy-1-benzothiophene-3-carbonitrile
CID 102585380
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872
6-methoxy-4-propoxy-2-(1H-pyrazin-4-yl)quinoline-3-carbonitrile
CID 139469208
3,6-dimethoxy-4-(3-methoxyhex-1-ynyl)quinoline
CID 90348340
3-chloro-6-methoxyisoquinoline-4-carbonitrile
CID 131699946
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
N-butyl-6-methoxyquinazolin-2-amine
CID 141287869
1,4-dibutoxyanthracene-2,3-dicarbonitrile
CID 118040405
2-[butyl-(5-methoxy-2-pyridinyl)amino]ethanol
CID 106504640

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile?
The IUPAC name of 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile (CID 176958580) is 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile.
What is the SMILES notation for 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile?
The canonical SMILES for 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile is CCCCN(CCC)c1cnc2ccc(OC)cc2c1C#N.
What is the InChIKey of 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile?
The InChIKey is WDKHYYWKXFVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-6-10-21(9-5-2)18-13-20-17-8-7-14(22-3)11-15(17)16(18)12-19/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile?
3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile has a molecular weight of 297.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(propyl)amino]-6-methoxyquinoline-4-carbonitrile is sourced from PubChem (CID 176958580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).