(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone

C14H18N2O3 — CID 55119994

IUPAC(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)C1COCCO1
InChIInChI=1S/C14H18N2O3/c15-11-3-4-12-10(8-11)2-1-5-16(12)14(17)13-9-18-6-7-19-13/h3-4,8,13H,1-2,5-7,9,15H2
InChIKeyOILHMKPNGBYTFF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.96
Rot. Bonds1

About (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone

(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone (PubChem CID 55119994) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone
PubChem CID55119994
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone
SMILESNc1ccc2c(c1)CCCN2C(=O)C1COCCO1
InChIInChI=1S/C14H18N2O3/c15-11-3-4-12-10(8-11)2-1-5-16(12)14(17)13-9-18-6-7-19-13/h3-4,8,13H,1-2,5-7,9,15H2
InChIKeyOILHMKPNGBYTFF-UHFFFAOYSA-N
XLogP0.96
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone with MolForge

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Related Compounds

(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79750528
(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(1,4-dioxan-2-yl)methanone
CID 55120091
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(1,4-dioxan-2-yl)methanone
CID 83212270
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1-benzofuran-2-yl)methanone
CID 43823655
6-amino-N-tert-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785718
1,4-dioxan-2-yl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119260475
oxolan-2-yl-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134030083
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114824255
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284

Frequently Asked Questions

What is the IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone?
The IUPAC name of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone (CID 55119994) is (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone is Nc1ccc2c(c1)CCCN2C(=O)C1COCCO1.
What is the InChIKey of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone?
The InChIKey is OILHMKPNGBYTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-11-3-4-12-10(8-11)2-1-5-16(12)14(17)13-9-18-6-7-19-13/h3-4,8,13H,1-2,5-7,9,15H2.
What are the key properties of (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone?
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3,4-dihydro-2H-quinolin-1-yl)-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 55119994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).