2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide

C11H12N4O — CID 15312043

IUPAC2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide
SMILESN#Cc1c(N)nc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C11H12N4O/c12-5-7-9(11(14)16)6-3-1-2-4-8(6)15-10(7)13/h1-4H2,(H2,13,15)(H2,14,16)
InChIKeyVXXJEDRSVASKOI-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.51
Rot. Bonds1

About 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide

2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide (PubChem CID 15312043) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide
PubChem CID15312043
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide
SMILESN#Cc1c(N)nc2c(c1C(N)=O)CCCC2
InChIInChI=1S/C11H12N4O/c12-5-7-9(11(14)16)6-3-1-2-4-8(6)15-10(7)13/h1-4H2,(H2,13,15)(H2,14,16)
InChIKeyVXXJEDRSVASKOI-UHFFFAOYSA-N
XLogP0.51
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 17229146
5-Amino-7-imino-4,8-diazatricyclo[7.5.0.0(2,6)]tetradeca-1(9),2(6),4-trien-3-one
CID 54612815
N-benzyl-2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide
CID 12100871
2-Amino-3-cyano-5,6-tetramethyleneisonicotinic acid
CID 82393504
2-Amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carbohydrazide
CID 616077
4-Amino-1-imino-6-methyl-2H,6H,7H,8H,9H-pyrrolo[3,4-c]quinolin-3-one
CID 91736644
7-Amino-5-imino-4,8-diazatricyclo[7.6.0.0{2,6}]pentadeca-1(9),2(6),7-trien-3-one
CID 91738141
2-Amino-4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 44245600
6-Amino-5-cyano-4-phenylpyridine-2-carboxamide
CID 141578909
1,2,3,4,5,6,7,8-Octahydroacridine-9-carboxamide
CID 10680980
2-Amino-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 12665738
2-(4,6-Diamino-3,5-dicyano-2-pyridinyl)acetamide
CID 13794455

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The IUPAC name of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide (CID 15312043) is 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide is N#Cc1c(N)nc2c(c1C(N)=O)CCCC2.
What is the InChIKey of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide?
The InChIKey is VXXJEDRSVASKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-5-7-9(11(14)16)6-3-1-2-4-8(6)15-10(7)13/h1-4H2,(H2,13,15)(H2,14,16).
What are the key properties of 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide?
2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyano-5,6,7,8-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 15312043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).