3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine

C17H21N3O — CID 62181955

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCOC2CCCC21
InChIInChI=1S/C17H21N3O/c18-17-13(10-12-4-1-2-5-14(12)19-17)11-20-8-9-21-16-7-3-6-15(16)20/h1-2,4-5,10,15-16H,3,6-9,11H2,(H2,18,19)
InChIKeyOTQZTYMEWGGANB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.57
Rot. Bonds2

About 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine (PubChem CID 62181955) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
PubChem CID62181955
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine
SMILESNc1nc2ccccc2cc1CN1CCOC2CCCC21
InChIInChI=1S/C17H21N3O/c18-17-13(10-12-4-1-2-5-14(12)19-17)11-20-8-9-21-16-7-3-6-15(16)20/h1-2,4-5,10,15-16H,3,6-9,11H2,(H2,18,19)
InChIKeyOTQZTYMEWGGANB-UHFFFAOYSA-N
XLogP2.57
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine with MolForge

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Related Compounds

[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
(4aS,8aS)-4-[(3-methylquinoxalin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 94414210
3-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62478492
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-fluorophenyl]methanamine
CID 107113319
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)quinoxalin-2-amine
CID 102986147
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-2,6-dichloroaniline
CID 82833402
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
CID 62182409
4-[(4-bromo-2-chlorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 113228500
2-[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)propyl]aniline
CID 107274411

Frequently Asked Questions

What is the IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine (CID 62181955) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine is Nc1nc2ccccc2cc1CN1CCOC2CCCC21.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine?
The InChIKey is OTQZTYMEWGGANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c18-17-13(10-12-4-1-2-5-14(12)19-17)11-20-8-9-21-16-7-3-6-15(16)20/h1-2,4-5,10,15-16H,3,6-9,11H2,(H2,18,19).
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine has a molecular weight of 283.37 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 62181955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).