[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone

C16H18N2O2 — CID 116589142

IUPAC[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCC(CN)O3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-2-3-11-8-12(4-6-14(11)18-10)16(19)15-7-5-13(9-17)20-15/h2-4,6,8,13,15H,5,7,9,17H2,1H3
InChIKeyQBOPWTGQVIBGOK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.23
Rot. Bonds3

About [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone

[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone (PubChem CID 116589142) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
PubChem CID116589142
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone
SMILESCc1ccc2cc(C(=O)C3CCC(CN)O3)ccc2n1
InChIInChI=1S/C16H18N2O2/c1-10-2-3-11-8-12(4-6-14(11)18-10)16(19)15-7-5-13(9-17)20-15/h2-4,6,8,13,15H,5,7,9,17H2,1H3
InChIKeyQBOPWTGQVIBGOK-UHFFFAOYSA-N
XLogP2.23
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-quinolin-7-ylmethanone
CID 116589113
[4-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116592386
[5-(aminomethyl)oxolan-2-yl]-(4-chloro-3-methoxyphenyl)methanone
CID 116589251
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
(1,1-dioxothiolan-3-yl)-(2-methylquinolin-6-yl)methanone
CID 115336329
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565
[5-(aminomethyl)oxolan-2-yl]-(1-ethylpyrazol-4-yl)methanone
CID 116589035
2-amino-1-(2-methylquinolin-6-yl)propan-1-one
CID 116551720
(2S,5R)-5-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 120783044

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone?
The IUPAC name of [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone (CID 116589142) is [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone?
The canonical SMILES for [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone is Cc1ccc2cc(C(=O)C3CCC(CN)O3)ccc2n1.
What is the InChIKey of [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone?
The InChIKey is QBOPWTGQVIBGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-2-3-11-8-12(4-6-14(11)18-10)16(19)15-7-5-13(9-17)20-15/h2-4,6,8,13,15H,5,7,9,17H2,1H3.
What are the key properties of [5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone?
[5-(aminomethyl)oxolan-2-yl]-(2-methylquinolin-6-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 2.23, 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]-(2-methylquinolin-6-yl)methanone is sourced from PubChem (CID 116589142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).