4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

C37H38ClF6N7O3 — CID 158448258

IUPAC4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1.OCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCC(O)CC1
InChIInChI=1S/C20H23F3N4O2.C17H15ClF3N3O/c21-20(22,23)12-2-7-15-16(10-12)26-19(24-8-1-9-28)17-18(15)27(11-25-17)13-3-5-14(29)6-4-13;18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h2,7,10-11,13-14,28-29H,1,3-6,8-9H2,(H,24,26);1,6-8,10-11,25H,2-5H2
InChIKeyHDQRZSNGKUPAKW-UHFFFAOYSA-N
MW778.20 g/mol
LogP8.61
Rot. Bonds6

About 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol

4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol (PubChem CID 158448258) has the molecular formula C37H38ClF6N7O3 and a molecular weight of 778.20 g/mol. Its IUPAC name is 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
PubChem CID158448258
Molecular FormulaC37H38ClF6N7O3
Molecular Weight778.20 g/mol
Exact Mass777.26
IUPAC Name4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1.OCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCC(O)CC1
InChIInChI=1S/C20H23F3N4O2.C17H15ClF3N3O/c21-20(22,23)12-2-7-15-16(10-12)26-19(24-8-1-9-28)17-18(15)27(11-25-17)13-3-5-14(29)6-4-13;18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h2,7,10-11,13-14,28-29H,1,3-6,8-9H2,(H,24,26);1,6-8,10-11,25H,2-5H2
InChIKeyHDQRZSNGKUPAKW-UHFFFAOYSA-N
XLogP8.61
TPSA134.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.20
LogP ≤ 58.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[4-Chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
CID 59333336
4-[4-(3-Hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
CID 59333350
3-[[1-Cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
CID 145481749
(1S,2R,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)cyclopent-3-ene-1,2-diol
CID 155390269
(1S,2R,5R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
CID 155390272
3-[[8-(benzylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol;N-benzyl-4-chloro-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-8-amine
CID 157229537
4-[[3-Amino-2-chloro-7-(trifluoromethyl)quinolin-4-yl]amino]cyclohexan-1-ol;4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol
CID 157837286
4-Chloro-1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinoline;3-[[1-(4-methoxyphenyl)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
CID 158587331
4-Chloro-1-methyl-7-(trifluoromethyl)imidazo[4,5-c]quinoline;3-[[1-methyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
CID 162069391
3-[2-(2-Amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
CID 175573663
(1R)-3-[2-(2-amino-3-chloro-5-fluoroquinolin-7-yl)ethyl]-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
CID 175573664
cis-3-[8-Chloro-1-(2-phenyl-quinolin-7-yl)-imidazo[1,5-a]pyrazin-3-yl]-cyclobutanol
CID 53629035

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol (CID 158448258) is 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol is OC1CCC(n2cnc3c(Cl)nc4cc(C(F)(F)F)ccc4c32)CC1.OCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCC(O)CC1.
What is the InChIKey of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
The InChIKey is HDQRZSNGKUPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2.C17H15ClF3N3O/c21-20(22,23)12-2-7-15-16(10-12)26-19(24-8-1-9-28)17-18(15)27(11-25-17)13-3-5-14(29)6-4-13;18-16-14-15(24(8-22-14)10-2-4-11(25)5-3-10)12-6-1-9(17(19,20)21)7-13(12)23-16/h2,7,10-11,13-14,28-29H,1,3-6,8-9H2,(H,24,26);1,6-8,10-11,25H,2-5H2.
What are the key properties of 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol?
4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol has a molecular weight of 778.20 g/mol, XLogP of 8.61, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol;4-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[4,5-c]quinolin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 158448258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).