2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H19N5O — CID 3848139

IUPAC2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CCCC2=O
InChIInChI=1S/C17H19N5O/c1-21(2)22-13-6-3-7-14(23)16(13)15(12(9-18)17(22)19)11-5-4-8-20-10-11/h4-5,8,10,15H,3,6-7,19H2,1-2H3
InChIKeySBQKJBGWLVSPSJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.66
Rot. Bonds2

About 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3848139) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3848139
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CCCC2=O
InChIInChI=1S/C17H19N5O/c1-21(2)22-13-6-3-7-14(23)16(13)15(12(9-18)17(22)19)11-5-4-8-20-10-11/h4-5,8,10,15H,3,6-7,19H2,1-2H3
InChIKeySBQKJBGWLVSPSJ-UHFFFAOYSA-N
XLogP1.66
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3848139) is 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2cccnc2)C2=C1CCCC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is SBQKJBGWLVSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(2)22-13-6-3-7-14(23)16(13)15(12(9-18)17(22)19)11-5-4-8-20-10-11/h4-5,8,10,15H,3,6-7,19H2,1-2H3.
What are the key properties of 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3848139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).