1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile

C15H15N5O — CID 142774543

IUPAC1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile
SMILESN#CC1=C(NCc2ccco2)c2ccccc2N(N)C1N
InChIInChI=1S/C15H15N5O/c16-8-12-14(19-9-10-4-3-7-21-10)11-5-1-2-6-13(11)20(18)15(12)17/h1-7,15,19H,9,17-18H2
InChIKeyITVFGXCSDWCIAS-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.28
Rot. Bonds3

About 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile

1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile (PubChem CID 142774543) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile
PubChem CID142774543
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile
SMILESN#CC1=C(NCc2ccco2)c2ccccc2N(N)C1N
InChIInChI=1S/C15H15N5O/c16-8-12-14(19-9-10-4-3-7-21-10)11-5-1-2-6-13(11)20(18)15(12)17/h1-7,15,19H,9,17-18H2
InChIKeyITVFGXCSDWCIAS-UHFFFAOYSA-N
XLogP1.28
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile?
The IUPAC name of 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile (CID 142774543) is 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile.
What is the SMILES notation for 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile?
The canonical SMILES for 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile is N#CC1=C(NCc2ccco2)c2ccccc2N(N)C1N.
What is the InChIKey of 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile?
The InChIKey is ITVFGXCSDWCIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-8-12-14(19-9-10-4-3-7-21-10)11-5-1-2-6-13(11)20(18)15(12)17/h1-7,15,19H,9,17-18H2.
What are the key properties of 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile?
1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diamino-4-(furan-2-ylmethylamino)-2H-quinoline-3-carbonitrile is sourced from PubChem (CID 142774543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).