2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol

C17H26N4O2 — CID 91026978

IUPAC2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol
SMILESCCOCc1nc2c(N)nc3c(c2n1CCO)C(C)C(C)CC3
InChIInChI=1S/C17H26N4O2/c1-4-23-9-13-20-15-16(21(13)7-8-22)14-11(3)10(2)5-6-12(14)19-17(15)18/h10-11,22H,4-9H2,1-3H3,(H2,18,19)
InChIKeyYFYLADVIBRGWSF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.23
Rot. Bonds5

About 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol

2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol (PubChem CID 91026978) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol
PubChem CID91026978
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol
SMILESCCOCc1nc2c(N)nc3c(c2n1CCO)C(C)C(C)CC3
InChIInChI=1S/C17H26N4O2/c1-4-23-9-13-20-15-16(21(13)7-8-22)14-11(3)10(2)5-6-12(14)19-17(15)18/h10-11,22H,4-9H2,1-3H3,(H2,18,19)
InChIKeyYFYLADVIBRGWSF-UHFFFAOYSA-N
XLogP2.23
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol?
The IUPAC name of 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol (CID 91026978) is 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol.
What is the SMILES notation for 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol?
The canonical SMILES for 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol is CCOCc1nc2c(N)nc3c(c2n1CCO)C(C)C(C)CC3.
What is the InChIKey of 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol?
The InChIKey is YFYLADVIBRGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-4-23-9-13-20-15-16(21(13)7-8-22)14-11(3)10(2)5-6-12(14)19-17(15)18/h10-11,22H,4-9H2,1-3H3,(H2,18,19).
What are the key properties of 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol?
2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol has a molecular weight of 318.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(ethoxymethyl)-8,9-dimethyl-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]ethanol is sourced from PubChem (CID 91026978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).