6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile

C15H18N4 — CID 62187998

IUPAC6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccc(N(C)C)cc12
InChIInChI=1S/C15H18N4/c1-4-7-17-15-11(9-16)10-18-14-6-5-12(19(2)3)8-13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,17,18)
InChIKeyJXGUNLZQNPYJQP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.99
Rot. Bonds4

About 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile

6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 62187998) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
PubChem CID62187998
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2ccc(N(C)C)cc12
InChIInChI=1S/C15H18N4/c1-4-7-17-15-11(9-16)10-18-14-6-5-12(19(2)3)8-13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,17,18)
InChIKeyJXGUNLZQNPYJQP-UHFFFAOYSA-N
XLogP2.99
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
6-N,6-N-dimethyl-4-N-propylquinoline-4,6-diamine
CID 55045574
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
CID 62189896
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile (CID 62187998) is 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2ccc(N(C)C)cc12.
What is the InChIKey of 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is JXGUNLZQNPYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-4-7-17-15-11(9-16)10-18-14-6-5-12(19(2)3)8-13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile?
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62187998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).