N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide

C16H17N5O — CID 71985757

IUPACN,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncnn2C)c2ccccc2n1
InChIInChI=1S/C16H17N5O/c1-11-8-13(12-6-4-5-7-14(12)19-11)16(22)20(2)9-15-17-10-18-21(15)3/h4-8,10H,9H2,1-3H3
InChIKeyLRIHAIIBEYAWFD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.94
Rot. Bonds3

About N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide

N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide (PubChem CID 71985757) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
PubChem CID71985757
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncnn2C)c2ccccc2n1
InChIInChI=1S/C16H17N5O/c1-11-8-13(12-6-4-5-7-14(12)19-11)16(22)20(2)9-15-17-10-18-21(15)3/h4-8,10H,9H2,1-3H3
InChIKeyLRIHAIIBEYAWFD-UHFFFAOYSA-N
XLogP1.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 71985750
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,2-dimethylquinoline-4-carboxamide
CID 32520142
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 80676660
2-(4-bromophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]quinoline-4-carboxamide
CID 17457899
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344
N,2,6-trimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline-4-carboxamide
CID 70753273
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
CID 105132581
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide (CID 71985757) is N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ncnn2C)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
The InChIKey is LRIHAIIBEYAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-8-13(12-6-4-5-7-14(12)19-11)16(22)20(2)9-15-17-10-18-21(15)3/h4-8,10H,9H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide?
N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 71985757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).