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

C16H20N4O — CID 103510824

IUPAC3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-20-11-17-10-14(20)16(21)19-9-7-13-5-2-4-12-6-3-8-18-15(12)13/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,19,21)
InChIKeyOXEBMPUIJGQTHQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.75
Rot. Bonds4

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

3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide (PubChem CID 103510824) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide
PubChem CID103510824
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCc1cccc2c1NCCC2
InChIInChI=1S/C16H20N4O/c1-20-11-17-10-14(20)16(21)19-9-7-13-5-2-4-12-6-3-8-18-15(12)13/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,19,21)
InChIKeyOXEBMPUIJGQTHQ-UHFFFAOYSA-N
XLogP1.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide (CID 103510824) is 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide is Cn1cncc1C(=O)NCCc1cccc2c1NCCC2.
What is the InChIKey of 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is OXEBMPUIJGQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-11-17-10-14(20)16(21)19-9-7-13-5-2-4-12-6-3-8-18-15(12)13/h2,4-5,10-11,18H,3,6-9H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide?
3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,2,3,4-tetrahydroquinolin-8-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 103510824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).