6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine

C18H19BrN2 — CID 91281482

IUPAC6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine
SMILES[H]/N=C1\c2cc(Br)ccc2CC12CCC1=NCCC(C)=C1C2
InChIInChI=1S/C18H19BrN2/c1-11-5-7-21-16-4-6-18(10-15(11)16)9-12-2-3-13(19)8-14(12)17(18)20/h2-3,8,20H,4-7,9-10H2,1H3/b20-17+
InChIKeyDJQMCIIIIPEVPN-LVZFUZTISA-N
MW343.27 g/mol
LogP4.70
Rot. Bonds

About 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine

6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine (PubChem CID 91281482) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine.

Molecular Properties

Compound Name6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine
PubChem CID91281482
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine
SMILES[H]/N=C1\c2cc(Br)ccc2CC12CCC1=NCCC(C)=C1C2
InChIInChI=1S/C18H19BrN2/c1-11-5-7-21-16-4-6-18(10-15(11)16)9-12-2-3-13(19)8-14(12)17(18)20/h2-3,8,20H,4-7,9-10H2,1H3/b20-17+
InChIKeyDJQMCIIIIPEVPN-LVZFUZTISA-N
XLogP4.70
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6'-bromo-4,4-difluorospiro[cyclohexane-1,2'-inden]-1'(3'H)-imine
CID 67979513
(6'-bromo-7,8-difluorospiro[2,5-dihydro-1H-naphthalene-3,2'-3H-indene]-1'-ylidene)cyanamide
CID 90804440
6-Bromo-4,4-diethyl-3,4-dihydro-1-(1-methylethyl)isoquinoline
CID 18680167
(Z)-6-bromo-N-isocyanospiro[3H-indene-2,7'-5,6,8,9-tetrahydrobenzo[7]annulene]-1-imine
CID 58197256
(4'-benzyl-6-bromospiro[3H-indene-2,1'-cyclohexane]-1-ylidene)cyanamide
CID 58197260
[(2R,2'R)-6-bromo-2'-phenylspiro[3H-indene-2,1'-cyclopropane]-1-ylidene]cyanamide
CID 58197840
(Z)-N-(5'-bromo-5,6,8,9-tetrahydrospiro[benzo[7]annulene-7,2'-indene]-3'(1'H)-ylidene)cyanamide
CID 58197950
7-Bromo-1-cyclohexyl-3,4-dihydroisoquinoline
CID 67538221
6-bromo-3,3-dimethyl-2H-inden-1-imine
CID 70216126
(2'Z)-6-bromo-2'-(1-phosphanylethylidene)spiro[3H-indene-2,4'-cyclohexane]-1,1'-diimine
CID 70219619
4'-benzyl-6-bromospiro[3H-indene-2,1'-cyclohexane]-1-imine
CID 70221610
2-Bromofluoren-9-imine
CID 70248477

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine?
The IUPAC name of 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine (CID 91281482) is 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine.
What is the SMILES notation for 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine?
The canonical SMILES for 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine is [H]/N=C1\c2cc(Br)ccc2CC12CCC1=NCCC(C)=C1C2.
What is the InChIKey of 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine?
The InChIKey is DJQMCIIIIPEVPN-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19BrN2/c1-11-5-7-21-16-4-6-18(10-15(11)16)9-12-2-3-13(19)8-14(12)17(18)20/h2-3,8,20H,4-7,9-10H2,1H3/b20-17+.
What are the key properties of 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine?
6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine has a molecular weight of 343.27 g/mol, XLogP of 4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-4-methylspiro[3,5,7,8-tetrahydro-2H-quinoline-6,2'-3H-indene]-1'-imine is sourced from PubChem (CID 91281482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).