2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C18H13N3O — CID 10424154

IUPAC2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccco1)CCc1ccccc1-2
InChIInChI=1S/C18H13N3O/c19-10-14-16(15-6-3-9-22-15)13-8-7-11-4-1-2-5-12(11)17(13)21-18(14)20/h1-6,9H,7-8H2,(H2,20,21)
InChIKeyVHHWIZGIWRFSAA-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 10424154) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID10424154
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccco1)CCc1ccccc1-2
InChIInChI=1S/C18H13N3O/c19-10-14-16(15-6-3-9-22-15)13-8-7-11-4-1-2-5-12(11)17(13)21-18(14)20/h1-6,9H,7-8H2,(H2,20,21)
InChIKeyVHHWIZGIWRFSAA-UHFFFAOYSA-N
XLogP3.56
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]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 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 10424154) is 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccco1)CCc1ccccc1-2.
What is the InChIKey of 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is VHHWIZGIWRFSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-10-14-16(15-6-3-9-22-15)13-8-7-11-4-1-2-5-12(11)17(13)21-18(14)20/h1-6,9H,7-8H2,(H2,20,21).
What are the key properties of 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 10424154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).