4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride

C109H116ClFN18O2 — CID 158427010

About 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride

4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride (PubChem CID 158427010) has the molecular formula C109H116ClFN18O2 and a molecular weight of 1764.70 g/mol. Its IUPAC name is 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride.

Molecular Properties

• Compound Name: 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride
• PubChem CID: 158427010
• Molecular Formula: C109H116ClFN18O2
• Molecular Weight: 1764.70 g/mol
• Exact Mass: 1762.92
• IUPAC Name: 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride
• SMILES: C1=Cc2cc(C3NC4=C(C5=C3CCCC5)C3C=NNC3C=C4)cnc2CC1.C=C/C=C(O)\C=C\C1NC2=C(C(C)=C1CCC)C1C=NNC1C=C2.C=c1cccn/c1=C/C=C/CC1=C(c2c(N)ccc3[nH]ncc23)CCCC1.CCCc1c(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c2c1C.Cl.F.[H]/N=C/c1cc(/N=C(\C2=CCCCC2)c2nccc3ccccc23)ccc1N
• InChI: InChI=1S/2C23H24N4.C23H22N4.C20H19N3O.C20H25N3O.ClH.FH/c1-4-8-19-14(5-1)11-15(12-24-19)23-17-7-3-2-6-16(17)22-18-13-25-27-20(18)9-10-21(22)26-23;1-16-7-6-14-25-21(16)11-5-3-9-17-8-2-4-10-18(17)23-19-15-26-27-22(19)13-12-20(23)24;24-15-18-14-19(10-11-21(18)25)27-22(17-7-2-1-3-8-17)23-20-9-5-4-6-16(20)12-13-26-23;1-3-4-15-12(2)19-16-11-21-23-17(16)9-10-18(19)22-20(15)13-5-7-14(24)8-6-13;1-4-6-14(24)8-9-17-15(7-5-2)13(3)20-16-12-21-23-18(16)10-11-19(20)22-17;;/h1,5,9-13,18,20,23,26-27H,2-4,6-8H2;3,5-7,11-15H,1-2,4,8-10,24H2,(H,26,27);4-7,9-15,24H,1-3,8,25H2;5-11,24H,3-4H2,1-2H3,(H,21,23);4,6,8-12,16-18,22-24H,1,5,7H2,2-3H3;2*1H/b;5-3+,21-11+;24-15+,27-22+;;9-8+,14-6+
• InChIKey: WTYCURNJJNRNLO-OECBJFJZSA-N
• XLogP: 22.07
• TPSA: 310.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1764.70
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride?

The IUPAC name of 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride (CID 158427010) is 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride.

What is the SMILES notation for 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride?

The canonical SMILES for 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride is C1=Cc2cc(C3NC4=C(C5=C3CCCC5)C3C=NNC3C=C4)cnc2CC1.C=C/C=C(O)\C=C\C1NC2=C(C(C)=C1CCC)C1C=NNC1C=C2.C=c1cccn/c1=C/C=C/CC1=C(c2c(N)ccc3[nH]ncc23)CCCC1.CCCc1c(-c2ccc(O)cc2)nc2ccc3[nH]ncc3c2c1C.Cl.F.[H]/N=C/c1cc(/N=C(\C2=CCCCC2)c2nccc3ccccc23)ccc1N.

What is the InChIKey of 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride?

The InChIKey is WTYCURNJJNRNLO-OECBJFJZSA-N. The full InChI is InChI=1S/2C23H24N4.C23H22N4.C20H19N3O.C20H25N3O.ClH.FH/c1-4-8-19-14(5-1)11-15(12-24-19)23-17-7-3-2-6-16(17)22-18-13-25-27-20(18)9-10-21(22)26-23;1-16-7-6-14-25-21(16)11-5-3-9-17-8-2-4-10-18(17)23-19-15-26-27-22(19)13-12-20(23)24;24-15-18-14-19(10-11-21(18)25)27-22(17-7-2-1-3-8-17)23-20-9-5-4-6-16(20)12-13-26-23;1-3-4-15-12(2)19-16-11-21-23-17(16)9-10-18(19)22-20(15)13-5-7-14(24)8-6-13;1-4-6-14(24)8-9-17-15(7-5-2)13(3)20-16-12-21-23-18(16)10-11-19(20)22-17;;/h1,5,9-13,18,20,23,26-27H,2-4,6-8H2;3,5-7,11-15H,1-2,4,8-10,24H2,(H,26,27);4-7,9-15,24H,1-3,8,25H2;5-11,24H,3-4H2,1-2H3,(H,21,23);4,6,8-12,16-18,22-24H,1,5,7H2,2-3H3;2*1H/b;5-3+,21-11+;24-15+,27-22+;;9-8+,14-6+;;.

What are the key properties of 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride?

4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride has a molecular weight of 1764.70 g/mol, XLogP of 22.07, 17 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[cyclohexen-1-yl(isoquinolin-1-yl)methylidene]amino]-2-methanimidoylaniline;7-(7,8-dihydroquinolin-3-yl)-3a,6,7,8,9,10,11,11c-octahydro-3H-pyrazolo[4,3-a]phenanthridine;4-[2-[(E,4E)-4-(3-methylidene-2-pyridinylidene)but-2-enyl]cyclohexen-1-yl]-1H-indazol-5-amine;(1E,3E)-1-(9-methyl-8-propyl-3a,6,7,9b-tetrahydro-3H-pyrazolo[4,3-f]quinolin-7-yl)hexa-1,3,5-trien-3-ol;4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;hydrochloride;hydrofluoride is sourced from PubChem (CID 158427010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).