4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide

C18H21N3O2 — CID 109205740

IUPAC4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C18H21N3O2/c1-23-12-10-20-18(22)16-13-15(8-9-19-16)21-11-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,20,22)
InChIKeyOZNJUGJUKBRZGO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.54
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide

4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109205740) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109205740
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(N2CCCc3ccccc32)ccn1
InChIInChI=1S/C18H21N3O2/c1-23-12-10-20-18(22)16-13-15(8-9-19-16)21-11-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,20,22)
InChIKeyOZNJUGJUKBRZGO-UHFFFAOYSA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227719
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109219730
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109203323
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204447
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109205740) is 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(N2CCCc3ccccc32)ccn1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is OZNJUGJUKBRZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-12-10-20-18(22)16-13-15(8-9-19-16)21-11-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-9,13H,4,6,10-12H2,1H3,(H,20,22).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).