N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C13H16N2O2 — CID 150484451

IUPACN-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCC1CO1)N1CCCc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13(14-8-11-9-17-11)15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,11H,3,5,7-9H2,(H,14,16)
InChIKeyHUMYMONSKNZYGA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.55
Rot. Bonds2

About N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide

N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 150484451) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID150484451
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESO=C(NCC1CO1)N1CCCc2ccccc21
InChIInChI=1S/C13H16N2O2/c16-13(14-8-11-9-17-11)15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,11H,3,5,7-9H2,(H,14,16)
InChIKeyHUMYMONSKNZYGA-UHFFFAOYSA-N
XLogP1.55
TPSA44.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223772
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094
N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47125506
N-(oxolan-3-ylmethyl)-2,3-dihydroindole-1-carboxamide
CID 75690987
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(2-cyclopentylethyl)-2,3-dihydroindole-1-carboxamide
CID 126767555
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765

Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 150484451) is N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide is O=C(NCC1CO1)N1CCCc2ccccc21.
What is the InChIKey of N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is HUMYMONSKNZYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(14-8-11-9-17-11)15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,11H,3,5,7-9H2,(H,14,16).
What are the key properties of N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 150484451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).