N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C17H23N5O2 — CID 131893212

IUPACN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H23N5O2/c1-12(16-21-19-11-22(16)9-10-24-2)20-17(23)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,18H,4,6,8-10H2,1-2H3,(H,20,23)
InChIKeyOHPGZJHMWPXHBJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds6

About N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 131893212) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID131893212
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCn1cnnc1C(C)NC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H23N5O2/c1-12(16-21-19-11-22(16)9-10-24-2)20-17(23)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,18H,4,6,8-10H2,1-2H3,(H,20,23)
InChIKeyOHPGZJHMWPXHBJ-UHFFFAOYSA-N
XLogP1.77
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 118788781
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63330077
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181
4-(cyclobutanecarbonylamino)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95120085
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 125165323
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 118794327
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
CID 125170254

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 131893212) is N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is COCCn1cnnc1C(C)NC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is OHPGZJHMWPXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(16-21-19-11-22(16)9-10-24-2)20-17(23)14-7-3-5-13-6-4-8-18-15(13)14/h3,5,7,11-12,18H,4,6,8-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 131893212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).