5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile

C13H11Cl2N3 — CID 55045002

IUPAC5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H11Cl2N3/c1-2-5-17-12-8(6-16)7-18-13-10(15)4-3-9(14)11(12)13/h3-4,7H,2,5H2,1H3,(H,17,18)
InChIKeyWYWNQHGMNYDSMP-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.24
Rot. Bonds3

About 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile

5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 55045002) has the molecular formula C13H11Cl2N3 and a molecular weight of 280.16 g/mol. Its IUPAC name is 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
PubChem CID55045002
Molecular FormulaC13H11Cl2N3
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(Cl)ccc(Cl)c12
InChIInChI=1S/C13H11Cl2N3/c1-2-5-17-12-8(6-16)7-18-13-10(15)4-3-9(14)11(12)13/h3-4,7H,2,5H2,1H3,(H,17,18)
InChIKeyWYWNQHGMNYDSMP-UHFFFAOYSA-N
XLogP4.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
5-bromo-8-chloro-4-(ethylamino)quinoline-3-carbonitrile
CID 62909428
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
5,6,8-trichloro-4-(ethylamino)quinoline-3-carbonitrile
CID 55045004
5-chloro-8-methoxy-4-(methylamino)quinoline-3-carbonitrile
CID 62188675
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
5-chloro-8-fluoro-4-[(3-fluoro-4-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 112840617
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile (CID 55045002) is 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is WYWNQHGMNYDSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3/c1-2-5-17-12-8(6-16)7-18-13-10(15)4-3-9(14)11(12)13/h3-4,7H,2,5H2,1H3,(H,17,18).
What are the key properties of 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile?
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 280.16 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 55045002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).