2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine

C17H23N3O — CID 63968717

IUPAC2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
SMILESCC1CN(C(CN)c2ccc3ncccc3c2)CCCO1
InChIInChI=1S/C17H23N3O/c1-13-12-20(8-3-9-21-13)17(11-18)15-5-6-16-14(10-15)4-2-7-19-16/h2,4-7,10,13,17H,3,8-9,11-12,18H2,1H3
InChIKeyZLMBILIOHZQONM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine

2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine (PubChem CID 63968717) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
PubChem CID63968717
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine
SMILESCC1CN(C(CN)c2ccc3ncccc3c2)CCCO1
InChIInChI=1S/C17H23N3O/c1-13-12-20(8-3-9-21-13)17(11-18)15-5-6-16-14(10-15)4-2-7-19-16/h2,4-7,10,13,17H,3,8-9,11-12,18H2,1H3
InChIKeyZLMBILIOHZQONM-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine?
The IUPAC name of 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine (CID 63968717) is 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine.
What is the SMILES notation for 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine?
The canonical SMILES for 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine is CC1CN(C(CN)c2ccc3ncccc3c2)CCCO1.
What is the InChIKey of 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine?
The InChIKey is ZLMBILIOHZQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-12-20(8-3-9-21-13)17(11-18)15-5-6-16-14(10-15)4-2-7-19-16/h2,4-7,10,13,17H,3,8-9,11-12,18H2,1H3.
What are the key properties of 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine?
2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,4-oxazepan-4-yl)-2-quinolin-6-ylethanamine is sourced from PubChem (CID 63968717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).