7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile

C15H17N3 — CID 62189896

IUPAC7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(C)c(C)ccc12
InChIInChI=1S/C15H17N3/c1-4-7-17-15-12(8-16)9-18-14-11(3)10(2)5-6-13(14)15/h5-6,9H,4,7H2,1-3H3,(H,17,18)
InChIKeyLOGNNCHPKYDNAB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.55
Rot. Bonds3

About 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile

7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile (PubChem CID 62189896) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
PubChem CID62189896
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile
SMILESCCCNc1c(C#N)cnc2c(C)c(C)ccc12
InChIInChI=1S/C15H17N3/c1-4-7-17-15-12(8-16)9-18-14-11(3)10(2)5-6-13(14)15/h5-6,9H,4,7H2,1-3H3,(H,17,18)
InChIKeyLOGNNCHPKYDNAB-UHFFFAOYSA-N
XLogP3.55
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
4-(propylamino)benzo[h]quinoline-3-carbonitrile
CID 62188673
8-bromo-5-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 82758267
5,8-dichloro-4-(propylamino)quinoline-3-carbonitrile
CID 55045002
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(ethylamino)benzo[h]quinoline-3-carbonitrile
CID 62188672
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
5-chloro-4-(ethylamino)-8-methylquinoline-3-carbonitrile
CID 62188504
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
3-ethyl-2,7,8-trimethyl-N-propylquinolin-4-amine
CID 63480442
8-bromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62189745
6-fluoro-4-(2-hydroxyethylamino)-8-methylquinoline-3-carbonitrile
CID 133381697

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile?
The IUPAC name of 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile (CID 62189896) is 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile is CCCNc1c(C#N)cnc2c(C)c(C)ccc12.
What is the InChIKey of 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile?
The InChIKey is LOGNNCHPKYDNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-4-7-17-15-12(8-16)9-18-14-11(3)10(2)5-6-13(14)15/h5-6,9H,4,7H2,1-3H3,(H,17,18).
What are the key properties of 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile?
7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-(propylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 62189896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).