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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Related Compounds

3-Methyl-1-(6-pyridin-4-ylquinolin-2-yl)butan-1-amine
CID 118279642
Quinoline, 6-((hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl)-
CID 102596393
4-methyl-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 10
CID 44603604
2-[1-Isobutyl-4-(6-quinolinylmethyl)-2-piperazinyl]ethanol
CID 16188422
1-(8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
CID 168288287
7-methyl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 168290931
6-[(1-Methyl-1,4-diazepan-6-yl)methyl]quinoline
CID 86344482
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]-4-methylpyridin-3-amine
CID 146676598
2-[4-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-6-yl]-3-(3-fluoro-5-methylphenyl)quinolin-6-yl]pyridin-3-amine
CID 146676626
Quinoline, 4-(2-(4-morpholinyl)ethyl)-
CID 3080019
Cambridge id 5413430
CID 743011
1-(Quinolin-6-yl)ethane-1,2-diamine
CID 63968090

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).