2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide

C14H14N6O — CID 64518344

IUPAC2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H14N6O/c1-20(7-13-16-8-17-19-13)14(21)10-6-12(15)18-11-5-3-2-4-9(10)11/h2-6,8H,7H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyKFJQQMWOZOBFBA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.21
Rot. Bonds3

About 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide

2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide (PubChem CID 64518344) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
PubChem CID64518344
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C14H14N6O/c1-20(7-13-16-8-17-19-13)14(21)10-6-12(15)18-11-5-3-2-4-9(10)11/h2-6,8H,7H2,1H3,(H2,15,18)(H,16,17,19)
InChIKeyKFJQQMWOZOBFBA-UHFFFAOYSA-N
XLogP1.21
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-methylquinoline-4-carboxamide
CID 62154590
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
4-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-2-carboxamide
CID 64511871
2-amino-N-[2-(dimethylamino)ethyl]-N-methylquinoline-4-carboxamide
CID 63727745
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379111
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2-amino-N-methyl-N-phenylquinoline-4-carboxamide
CID 62155545
2-amino-N,N-diethylquinoline-4-carboxamide
CID 62155871
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide (CID 64518344) is 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide?
The InChIKey is KFJQQMWOZOBFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-20(7-13-16-8-17-19-13)14(21)10-6-12(15)18-11-5-3-2-4-9(10)11/h2-6,8H,7H2,1H3,(H2,15,18)(H,16,17,19).
What are the key properties of 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide?
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 64518344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).