2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

C18H13N3O3 — CID 4920239

IUPAC2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C18H13N3O3/c1-21-12-6-3-2-5-10(12)16-15(18(21)22)14(13-7-4-8-23-13)11(9-19)17(20)24-16/h2-8,14H,20H2,1H3
InChIKeyYEHYITFWIFZXFW-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.35
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile

2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (PubChem CID 4920239) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
PubChem CID4920239
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
SMILESCn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccco1
InChIInChI=1S/C18H13N3O3/c1-21-12-6-3-2-5-10(12)16-15(18(21)22)14(13-7-4-8-23-13)11(9-19)17(20)24-16/h2-8,14H,20H2,1H3
InChIKeyYEHYITFWIFZXFW-UHFFFAOYSA-N
XLogP2.35
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile (CID 4920239) is 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
The InChIKey is YEHYITFWIFZXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-21-12-6-3-2-5-10(12)16-15(18(21)22)14(13-7-4-8-23-13)11(9-19)17(20)24-16/h2-8,14H,20H2,1H3.
What are the key properties of 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile?
2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile has a molecular weight of 319.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile is sourced from PubChem (CID 4920239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).