[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone

C15H16N2O2 — CID 116589113

IUPAC[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
SMILESNCC1CCC(C(=O)c2ccc3cccnc3c2)O1
InChIInChI=1S/C15H16N2O2/c16-9-12-5-6-14(19-12)15(18)11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2
InChIKeyOIWOPWVNRVXKCJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone

[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone (PubChem CID 116589113) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
PubChem CID116589113
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
SMILESNCC1CCC(C(=O)c2ccc3cccnc3c2)O1
InChIInChI=1S/C15H16N2O2/c16-9-12-5-6-14(19-12)15(18)11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2
InChIKeyOIWOPWVNRVXKCJ-UHFFFAOYSA-N
XLogP1.92
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
CID 116589142
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
CID 116589251
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273
(1-aminocyclopentyl)-quinolin-7-ylmethanone
CID 116558749
quinolin-7-yl(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171941860
(4-propylcyclohexyl)-quinolin-7-ylmethanone
CID 81197348
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-quinolin-7-ylmethanone
CID 171941871
N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
[5-(aminomethyl)oxolan-2-yl]-(2-chlorophenyl)methanone
CID 116589032
(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]oxolane-2-carboxamide
CID 120799520
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone (CID 116589113) is [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone is NCC1CCC(C(=O)c2ccc3cccnc3c2)O1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone?
The InChIKey is OIWOPWVNRVXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-9-12-5-6-14(19-12)15(18)11-4-3-10-2-1-7-17-13(10)8-11/h1-4,7-8,12,14H,5-6,9,16H2.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone?
[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone is sourced from PubChem (CID 116589113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).