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

C19H30N4O2 — CID 143198179

IUPAC1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1c(COCC)nc2c(N)nc3c(c21)CCCC3
InChIInChI=1S/C19H30N4O2/c1-3-5-8-13(24)11-23-16(12-25-4-2)22-17-18(23)14-9-6-7-10-15(14)21-19(17)20/h13,24H,3-12H2,1-2H3,(H2,20,21)
InChIKeyCMAYJIFBJSMEQF-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.98
Rot. Bonds8

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

1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol (PubChem CID 143198179) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol
PubChem CID143198179
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol
SMILESCCCCC(O)Cn1c(COCC)nc2c(N)nc3c(c21)CCCC3
InChIInChI=1S/C19H30N4O2/c1-3-5-8-13(24)11-23-16(12-25-4-2)22-17-18(23)14-9-6-7-10-15(14)21-19(17)20/h13,24H,3-12H2,1-2H3,(H2,20,21)
InChIKeyCMAYJIFBJSMEQF-UHFFFAOYSA-N
XLogP2.98
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol (CID 143198179) is 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol is CCCCC(O)Cn1c(COCC)nc2c(N)nc3c(c21)CCCC3.
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol?
The InChIKey is CMAYJIFBJSMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-5-8-13(24)11-23-16(12-25-4-2)22-17-18(23)14-9-6-7-10-15(14)21-19(17)20/h13,24H,3-12H2,1-2H3,(H2,20,21).
What are the key properties of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol?
1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol has a molecular weight of 346.48 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]hexan-2-ol is sourced from PubChem (CID 143198179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).