6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol

C27H24Cl2IN3O — CID 145265481

IUPAC6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol
SMILESOc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(I)CC3)ccnc12
InChIInChI=1S/C27H24Cl2IN3O/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(9-12-31-27(23)25(34)16-19)32-22-10-13-33(30)14-11-22/h1-9,12,15-16,22,26,34H,10-11,13-14H2,(H,31,32)
InChIKeyBNDZRHASQDAWPK-UHFFFAOYSA-N
MW604.32 g/mol
LogP7.65
Rot. Bonds5

About 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol

6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol (PubChem CID 145265481) has the molecular formula C27H24Cl2IN3O and a molecular weight of 604.32 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol
PubChem CID145265481
Molecular FormulaC27H24Cl2IN3O
Molecular Weight604.32 g/mol
Exact Mass603.03
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol
SMILESOc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(I)CC3)ccnc12
InChIInChI=1S/C27H24Cl2IN3O/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(9-12-31-27(23)25(34)16-19)32-22-10-13-33(30)14-11-22/h1-9,12,15-16,22,26,34H,10-11,13-14H2,(H,31,32)
InChIKeyBNDZRHASQDAWPK-UHFFFAOYSA-N
XLogP7.65
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.32
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol with MolForge

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Related Compounds

Tebuquine
CID 71991
5-Chloro-7-[[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90664797
6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-ol
CID 118323944
7-[(2,4-Dichlorophenyl)-(2-phenylethylamino)methyl]quinolin-8-ol
CID 135353946
8-Quinolinol, 7-amino-5-chloro-, hydrochloride
CID 3056874
7-[[6-(1,2,3,4-Tetrahydroacridin-9-ylamino)hexylamino]methyl]quinolin-8-ol;dihydrochloride
CID 46854737
7-[[7-(1,2,3,4-Tetrahydroacridin-9-ylamino)heptylamino]methyl]quinolin-8-ol;dihydrochloride
CID 46854879
7-[[8-(1,2,3,4-Tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;dihydrochloride
CID 46854880
5-Chloro-7-[[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90664422
5-Chloro-7-[[12-(1,2,3,4-tetrahydroacridin-9-ylamino)dodecylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90664932
5-Chloro-7-[[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octylamino]methyl]quinolin-8-ol;trihydrochloride
CID 90665171
4-(7-Chloroquinolin-4-yl)-2-[(cyclohexylamino)methyl]phenol
CID 135971354

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol (CID 145265481) is 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol is Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(I)CC3)ccnc12.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol?
The InChIKey is BNDZRHASQDAWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2IN3O/c28-20-5-1-17(2-6-20)26(18-3-7-21(29)8-4-18)19-15-23-24(9-12-31-27(23)25(34)16-19)32-22-10-13-33(30)14-11-22/h1-9,12,15-16,22,26,34H,10-11,13-14H2,(H,31,32).
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol?
6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol has a molecular weight of 604.32 g/mol, XLogP of 7.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-[(1-iodopiperidin-4-yl)amino]quinolin-8-ol is sourced from PubChem (CID 145265481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).