2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

C18H21N3O2 — CID 84574490

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C18H21N3O2/c1-20(11-12-22)18(23)15-8-9-19-17(13-15)21-10-4-6-14-5-2-3-7-16(14)21/h2-3,5,7-9,13,22H,4,6,10-12H2,1H3
InChIKeyOCXKJTDHMFHWFB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.23
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (PubChem CID 84574490) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
PubChem CID84574490
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCO)C(=O)c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C18H21N3O2/c1-20(11-12-22)18(23)15-8-9-19-17(13-15)21-10-4-6-14-5-2-3-7-16(14)21/h2-3,5,7-9,13,22H,4,6,10-12H2,1H3
InChIKeyOCXKJTDHMFHWFB-UHFFFAOYSA-N
XLogP2.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
CID 109170889
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171028
[2-(2,3-dihydroindol-1-yl)-4-pyridinyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 84574277
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carbaldehyde
CID 115042593
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109176550
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
1-(4-nitro-2-pyridinyl)-3,4-dihydro-2H-quinoline
CID 82120294

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide (CID 84574490) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is CN(CCO)C(=O)c1ccnc(N2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is OCXKJTDHMFHWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(11-12-22)18(23)15-8-9-19-17(13-15)21-10-4-6-14-5-2-3-7-16(14)21/h2-3,5,7-9,13,22H,4,6,10-12H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 84574490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).