3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol

C20H23F3N4O — CID 145481749

IUPAC3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCCCC1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)13-7-8-15-16(11-13)26-19(24-9-4-10-28)17-18(15)27(12-25-17)14-5-2-1-3-6-14/h7-8,11-12,14,28H,1-6,9-10H2,(H,24,26)
InChIKeyZRRSHGPCACBXLY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.90
Rot. Bonds5

About 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol

3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol (PubChem CID 145481749) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
PubChem CID145481749
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCCCC1
InChIInChI=1S/C20H23F3N4O/c21-20(22,23)13-7-8-15-16(11-13)26-19(24-9-4-10-28)17-18(15)27(12-25-17)14-5-2-1-3-6-14/h7-8,11-12,14,28H,1-6,9-10H2,(H,24,26)
InChIKeyZRRSHGPCACBXLY-UHFFFAOYSA-N
XLogP4.90
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

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CID 9813880
N-(2-aminoethyl)-12-methyl-12,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11(15),13,16-octaen-16-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol (CID 145481749) is 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2c2c1ncn2C1CCCCC1.
What is the InChIKey of 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol?
The InChIKey is ZRRSHGPCACBXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c21-20(22,23)13-7-8-15-16(11-13)26-19(24-9-4-10-28)17-18(15)27(12-25-17)14-5-2-1-3-6-14/h7-8,11-12,14,28H,1-6,9-10H2,(H,24,26).
What are the key properties of 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol?
3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol has a molecular weight of 392.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-cyclohexyl-7-(trifluoromethyl)imidazo[4,5-c]quinolin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 145481749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).