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

C15H19N5O — CID 63330077

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCn1cnnc1CCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C15H19N5O/c1-20-10-18-19-13(20)7-9-17-15(21)12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,21)
InChIKeyNKNUUGZPRGNBGJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.15
Rot. Bonds4

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 63330077) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID63330077
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCn1cnnc1CCNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C15H19N5O/c1-20-10-18-19-13(20)7-9-17-15(21)12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,21)
InChIKeyNKNUUGZPRGNBGJ-UHFFFAOYSA-N
XLogP1.15
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide
CID 103510824
3-fluoro-2-(methylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 63331174
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 64599539
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62215094
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 131893212
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
2-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-3-carboxamide
CID 81424217
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 118788781
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
1-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]pyrazole-4-carboxamide
CID 81424213

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 63330077) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is Cn1cnnc1CCNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is NKNUUGZPRGNBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20-10-18-19-13(20)7-9-17-15(21)12-6-2-4-11-5-3-8-16-14(11)12/h2,4,6,10,16H,3,5,7-9H2,1H3,(H,17,21).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 63330077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).