2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile

C15H18N4 — CID 18524403

IUPAC2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2cc(C#N)c(NCCCN)nc2c1
InChIInChI=1S/C15H18N4/c1-10-6-11(2)13-8-12(9-17)15(18-5-3-4-16)19-14(13)7-10/h6-8H,3-5,16H2,1-2H3,(H,18,19)
InChIKeyNDVLJQVUUZVROR-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.48
Rot. Bonds4

About 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile

2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile (PubChem CID 18524403) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile
PubChem CID18524403
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2cc(C#N)c(NCCCN)nc2c1
InChIInChI=1S/C15H18N4/c1-10-6-11(2)13-8-12(9-17)15(18-5-3-4-16)19-14(13)7-10/h6-8H,3-5,16H2,1-2H3,(H,18,19)
InChIKeyNDVLJQVUUZVROR-UHFFFAOYSA-N
XLogP2.48
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile?
The IUPAC name of 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile (CID 18524403) is 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile is Cc1cc(C)c2cc(C#N)c(NCCCN)nc2c1.
What is the InChIKey of 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile?
The InChIKey is NDVLJQVUUZVROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-6-11(2)13-8-12(9-17)15(18-5-3-4-16)19-14(13)7-10/h6-8H,3-5,16H2,1-2H3,(H,18,19).
What are the key properties of 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile?
2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-5,7-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 18524403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).