2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C15H15N3O — CID 679296

IUPAC2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)o1
InChIInChI=1S/C15H15N3O/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18)
InChIKeyCTSKFMRSRFSGHX-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.98
Rot. Bonds1

About 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 679296) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID679296
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)o1
InChIInChI=1S/C15H15N3O/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18)
InChIKeyCTSKFMRSRFSGHX-UHFFFAOYSA-N
XLogP2.98
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 679296) is 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)o1.
What is the InChIKey of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is CTSKFMRSRFSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18).
What are the key properties of 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).