(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide

C15H21BrN2O — CID 163427406

IUPAC(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide
SMILESCOC1CCC2(CCc3ccc(Br)cc3[NH+]2[NH-])CC1
InChIInChI=1S/C15H21BrN2O/c1-19-13-5-8-15(9-6-13)7-4-11-2-3-12(16)10-14(11)18(15)17/h2-3,10,13,17-18H,4-9H2,1H3
InChIKeyANSHKEOQECEIEH-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.21
Rot. Bonds1

About (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide

(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide (PubChem CID 163427406) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide.

Molecular Properties

Compound Name(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide
PubChem CID163427406
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide
SMILESCOC1CCC2(CCc3ccc(Br)cc3[NH+]2[NH-])CC1
InChIInChI=1S/C15H21BrN2O/c1-19-13-5-8-15(9-6-13)7-4-11-2-3-12(16)10-14(11)18(15)17/h2-3,10,13,17-18H,4-9H2,1H3
InChIKeyANSHKEOQECEIEH-UHFFFAOYSA-N
XLogP3.21
TPSA37.47 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-4'-methoxyspiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine
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7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
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CID 58198089
CID 58198089
(5-bromo-2-methylphenyl)-(4-methoxy-1-methylcyclohexyl)methanone
CID 163620031
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CID 142608779
6'-Bromo-4''-fluoro-4-methoxy-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine
CID 118597098
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
4-bromobenzene-1,2-diamine;methoxycyclohexane
CID 142331232
CID 58197281
CID 58197281
N-(6-bromo-1-ethenyl-4'-methoxyspiro[3H-indene-2,1'-cyclohexane]-1-yl)-2-methylpropane-2-sulfinamide
CID 131741307
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117

Frequently Asked Questions

What is the IUPAC name of (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide?
The IUPAC name of (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide (CID 163427406) is (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide.
What is the SMILES notation for (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide?
The canonical SMILES for (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide is COC1CCC2(CCc3ccc(Br)cc3[NH+]2[NH-])CC1.
What is the InChIKey of (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide?
The InChIKey is ANSHKEOQECEIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-19-13-5-8-15(9-6-13)7-4-11-2-3-12(16)10-14(11)18(15)17/h2-3,10,13,17-18H,4-9H2,1H3.
What are the key properties of (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide?
(7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide has a molecular weight of 325.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-4'-methoxyspiro[3,4-dihydro-1H-quinolin-1-ium-2,1'-cyclohexane]-1-yl)azanide is sourced from PubChem (CID 163427406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).