N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine

C19H22N4O — CID 90014427

IUPACN-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine
SMILESc1ccc2nc(NC3=NC4(CCO3)CN3CCC4CC3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-2-4-16-14(3-1)5-6-17(20-16)21-18-22-19(9-12-24-18)13-23-10-7-15(19)8-11-23/h1-6,15H,7-13H2,(H,20,21,22)
InChIKeyBZAWRFAMLOPEMM-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds1

About N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine

N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine (PubChem CID 90014427) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine.

Molecular Properties

Compound NameN-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine
PubChem CID90014427
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine
SMILESc1ccc2nc(NC3=NC4(CCO3)CN3CCC4CC3)ccc2c1
InChIInChI=1S/C19H22N4O/c1-2-4-16-14(3-1)5-6-17(20-16)21-18-22-19(9-12-24-18)13-23-10-7-15(19)8-11-23/h1-6,15H,7-13H2,(H,20,21,22)
InChIKeyBZAWRFAMLOPEMM-UHFFFAOYSA-N
XLogP2.89
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine with MolForge

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Related Compounds

2-(4-morpholin-4-ylpiperidin-1-yl)-5-(quinolin-2-ylamino)benzonitrile
CID 86580985
3-(1,3-benzoxazol-2-yl)-1-azabicyclo[2.2.2]octan-3-ol
CID 10105880
N-(2,2-dimethyloxan-4-yl)quinolin-2-amine
CID 115563852
N-(1-ethylpiperidin-4-yl)quinolin-2-amine
CID 60666937
N-(3,3,5,5-tetramethylcyclohexyl)quinolin-2-amine
CID 103967142
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
CID 23026816
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
CID 97312348
3-chloro-N-quinolin-2-ylquinolin-4-amine
CID 42598994
3-N-quinolin-2-ylbenzene-1,3-diamine
CID 24695043
N-[1-(aminomethyl)-2-methylcyclohexyl]quinolin-2-amine
CID 115309064
N-(6-chloropyridazin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
CID 72709934
4-methyl-1-[(quinolin-2-ylamino)methyl]cyclohexan-1-ol
CID 65118648

Frequently Asked Questions

What is the IUPAC name of N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine?
The IUPAC name of N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine (CID 90014427) is N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine.
What is the SMILES notation for N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine?
The canonical SMILES for N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine is c1ccc2nc(NC3=NC4(CCO3)CN3CCC4CC3)ccc2c1.
What is the InChIKey of N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine?
The InChIKey is BZAWRFAMLOPEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-4-16-14(3-1)5-6-17(20-16)21-18-22-19(9-12-24-18)13-23-10-7-15(19)8-11-23/h1-6,15H,7-13H2,(H,20,21,22).
What are the key properties of N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine?
N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine has a molecular weight of 322.41 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-2-ylspiro[1-azabicyclo[2.2.2]octane-3,4'-5,6-dihydro-1,3-oxazine]-2'-amine is sourced from PubChem (CID 90014427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).