N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine

C25H25N3 — CID 143757185

IUPACN-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine
SMILESC/C=C(\C=N\C)C1=CN=C2C(NC3=c4ccccc4=CC=CC3)=CC=CC2C1
InChIInChI=1S/C25H25N3/c1-3-18(16-26-2)21-15-20-11-8-14-24(25(20)27-17-21)28-23-13-7-5-10-19-9-4-6-12-22(19)23/h3-12,14,16-17,20,28H,13,15H2,1-2H3/b18-3+,26-16+
InChIKeyIFPDPEJKQVGASR-LCJHETDPSA-N
MW367.50 g/mol
LogP3.57
Rot. Bonds4

About N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine

N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine (PubChem CID 143757185) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine.

Molecular Properties

Compound NameN-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine
PubChem CID143757185
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine
SMILESC/C=C(\C=N\C)C1=CN=C2C(NC3=c4ccccc4=CC=CC3)=CC=CC2C1
InChIInChI=1S/C25H25N3/c1-3-18(16-26-2)21-15-20-11-8-14-24(25(20)27-17-21)28-23-13-7-5-10-19-9-4-6-12-22(19)23/h3-12,14,16-17,20,28H,13,15H2,1-2H3/b18-3+,26-16+
InChIKeyIFPDPEJKQVGASR-LCJHETDPSA-N
XLogP3.57
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-[(13E)-13-ethylidene-11-methyl-5-methylidene-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-1-yl]methanimine
CID 68224474
(E,3Z)-N'-[(4aR)-4,4a,5,6-tetrahydronaphthalen-2-yl]-3-[(E)-3-[4-[(1-aminononan-5-ylideneamino)methyl]-2,3,7,8-tetrahydronaphthalen-1-yl]but-2-enylidene]-2-[(Z)-4-methanimidoylhept-1-enyl]but-1-ene-1,4-diamine
CID 88933588
ethane;5-[(Z)-1-ethyliminobut-2-en-2-yl]-N-(3-methyl-2,3-dihydronaphthalen-1-yl)-1,1a,3a,4-tetrahydrocyclopropa[h]quinolin-7b-amine
CID 143756549
3-[(Z)-1-ethenyliminobut-2-en-2-yl]-N-(3-heptan-4-ylcyclopenta-1,3-dien-1-yl)-5-methyl-4,5-dihydro-3aH-indol-7-amine
CID 143756685
N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine;propane
CID 143757184
N-[(E)-3-(2-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enyl]-6-[(Z)-3-cyclohexa-2,4-dien-1-ylprop-1-enyl]iminocyclohexa-1,3-dien-1-amine
CID 144673752
2,4,8a-trimethyl-3-[(6-methyl-4H-azepin-7-yl)methyl]-1H-quinoline
CID 166806405
2-[6-[Amino-(4-cyclohexyliminopiperidin-3-ylidene)methyl]-1,3,4,5,6,7-hexahydro-2-benzazepin-2-yl]-3-methyliminoprop-1-en-1-amine
CID 173966025
5-[(Z)-1-ethyliminobut-2-en-2-yl]-N-(3-methyl-2,3-dihydronaphthalen-1-yl)-1,1a,3a,4-tetrahydrocyclopropa[h]quinolin-7b-amine
CID 143756550

Frequently Asked Questions

What is the IUPAC name of N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine?
The IUPAC name of N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine (CID 143757185) is N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine.
What is the SMILES notation for N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine?
The canonical SMILES for N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine is C/C=C(\C=N\C)C1=CN=C2C(NC3=c4ccccc4=CC=CC3)=CC=CC2C1.
What is the InChIKey of N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine?
The InChIKey is IFPDPEJKQVGASR-LCJHETDPSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-18(16-26-2)21-15-20-11-8-14-24(25(20)27-17-21)28-23-13-7-5-10-19-9-4-6-12-22(19)23/h3-12,14,16-17,20,28H,13,15H2,1-2H3/b18-3+,26-16+.
What are the key properties of N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine?
N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine has a molecular weight of 367.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8H-benzo[7]annulen-9-yl)-3-[(Z)-1-methyliminobut-2-en-2-yl]-4,4a-dihydroquinolin-8-amine is sourced from PubChem (CID 143757185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).