1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone

C15H20N2O2 — CID 62973285

IUPAC1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)N1CCCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(17-7-2-9-19-10-8-17)13-4-5-14-12(11-13)3-1-6-16-14/h4-5,11,16H,1-3,6-10H2
InChIKeyJEQQDIFGZQJERL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds1

About 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone

1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone (PubChem CID 62973285) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone.

Molecular Properties

Compound Name1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
PubChem CID62973285
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)CCCN2)N1CCCOCC1
InChIInChI=1S/C15H20N2O2/c18-15(17-7-2-9-19-10-8-17)13-4-5-14-12(11-13)3-1-6-16-14/h4-5,11,16H,1-3,6-10H2
InChIKeyJEQQDIFGZQJERL-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-morpholin-4-ylmethanone
CID 102567774
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114409872
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 107218755
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 103533020
[3-(methoxymethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 106586843
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996

Frequently Asked Questions

What is the IUPAC name of 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The IUPAC name of 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone (CID 62973285) is 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone.
What is the SMILES notation for 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The canonical SMILES for 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone is O=C(c1ccc2c(c1)CCCN2)N1CCCOCC1.
What is the InChIKey of 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
The InChIKey is JEQQDIFGZQJERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(17-7-2-9-19-10-8-17)13-4-5-14-12(11-13)3-1-6-16-14/h4-5,11,16H,1-3,6-10H2.
What are the key properties of 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone?
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone is sourced from PubChem (CID 62973285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).