3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol

C19H24N4O — CID 138584388

IUPAC3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
SMILESNc1nc2cc(C3CCCCC3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H24N4O/c20-19-18-17(22-16(23-18)7-4-10-24)14-9-8-13(11-15(14)21-19)12-5-2-1-3-6-12/h8-9,11-12,24H,1-7,10H2,(H2,20,21)(H,22,23)
InChIKeyKGMOATDENMWSFI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.67
Rot. Bonds4

About 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol

3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol (PubChem CID 138584388) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
PubChem CID138584388
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol
SMILESNc1nc2cc(C3CCCCC3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H24N4O/c20-19-18-17(22-16(23-18)7-4-10-24)14-9-8-13(11-15(14)21-19)12-5-2-1-3-6-12/h8-9,11-12,24H,1-7,10H2,(H2,20,21)(H,22,23)
InChIKeyKGMOATDENMWSFI-UHFFFAOYSA-N
XLogP3.67
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol (CID 138584388) is 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol is Nc1nc2cc(C3CCCCC3)ccc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
The InChIKey is KGMOATDENMWSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-19-18-17(22-16(23-18)7-4-10-24)14-9-8-13(11-15(14)21-19)12-5-2-1-3-6-12/h8-9,11-12,24H,1-7,10H2,(H2,20,21)(H,22,23).
What are the key properties of 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol?
3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol has a molecular weight of 324.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-7-cyclohexyl-3H-imidazo[4,5-c]quinolin-2-yl)propan-1-ol is sourced from PubChem (CID 138584388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).