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

C17H22N4O2 — CID 118788781

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H22N4O2/c1-23-9-8-21-12-18-10-14(21)11-20-17(22)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,10,12,19H,3,5,7-9,11H2,1H3,(H,20,22)
InChIKeyYEIHOJCMMJJYPG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.82
Rot. Bonds6

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

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 118788781) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID118788781
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cccc2c1NCCC2
InChIInChI=1S/C17H22N4O2/c1-23-9-8-21-12-18-10-14(21)11-20-17(22)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,10,12,19H,3,5,7-9,11H2,1H3,(H,20,22)
InChIKeyYEIHOJCMMJJYPG-UHFFFAOYSA-N
XLogP1.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 131893212
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63330077
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 64599539
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62215094
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 118788781) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is COCCn1cncc1CNC(=O)c1cccc2c1NCCC2.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is YEIHOJCMMJJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-9-8-21-12-18-10-14(21)11-20-17(22)15-6-2-4-13-5-3-7-19-16(13)15/h2,4,6,10,12,19H,3,5,7-9,11H2,1H3,(H,20,22).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 118788781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).