4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide

C16H20N8O — CID 21426366

IUPAC4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESCN(C)CCN(C)c1cc(C(=O)Nc2nn[nH]n2)nc2ccccc12
InChIInChI=1S/C16H20N8O/c1-23(2)8-9-24(3)14-10-13(15(25)18-16-19-21-22-20-16)17-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,22,25)
InChIKeyNXQCOGGHTTUQRK-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.00
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide

4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (PubChem CID 21426366) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
PubChem CID21426366
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
SMILESCN(C)CCN(C)c1cc(C(=O)Nc2nn[nH]n2)nc2ccccc12
InChIInChI=1S/C16H20N8O/c1-23(2)8-9-24(3)14-10-13(15(25)18-16-19-21-22-20-16)17-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,22,25)
InChIKeyNXQCOGGHTTUQRK-UHFFFAOYSA-N
XLogP1.00
TPSA102.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 21426371
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
2-(2,4-dimethylphenyl)-N-(2H-tetrazol-5-yl)quinoline-4-carboxamide
CID 845043
CID 70476554
CID 70476554
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
N-[3-(dimethylamino)propyl]-4-(methylamino)quinoline-2-carboxamide
CID 63375251
3-chloro-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2851499
sodium;6-[4-(dimethylamino)phenyl]-4-methoxy-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide;hydride
CID 173433554
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylamino)quinoline-2-carboxamide
CID 124877575
CID 70545917
CID 70545917
4-(dipropylamino)quinoline-2-carboxylic acid
CID 63528337

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide (CID 21426366) is 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is CN(C)CCN(C)c1cc(C(=O)Nc2nn[nH]n2)nc2ccccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
The InChIKey is NXQCOGGHTTUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-23(2)8-9-24(3)14-10-13(15(25)18-16-19-21-22-20-16)17-12-7-5-4-6-11(12)14/h4-7,10H,8-9H2,1-3H3,(H2,18,19,20,21,22,25).
What are the key properties of 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide?
4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-methylamino]-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide is sourced from PubChem (CID 21426366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).