(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol

C18H24N4O2 — CID 146596748

IUPAC(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
SMILESCCO[C@@H](C)[C@@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O
InChIInChI=1S/C18H24N4O2/c1-5-24-11(2)16(18(3,4)23)22-10-20-14-15(22)12-8-6-7-9-13(12)21-17(14)19/h6-11,16,23H,5H2,1-4H3,(H2,19,21)/t11-,16+/m0/s1
InChIKeyYJSMJACWKGEBKP-MEDUHNTESA-N
MW328.42 g/mol
LogP2.90
Rot. Bonds5

About (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol

(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol (PubChem CID 146596748) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol.

Molecular Properties

Compound Name(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
PubChem CID146596748
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
SMILESCCO[C@@H](C)[C@@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O
InChIInChI=1S/C18H24N4O2/c1-5-24-11(2)16(18(3,4)23)22-10-20-14-15(22)12-8-6-7-9-13(12)21-17(14)19/h6-11,16,23H,5H2,1-4H3,(H2,19,21)/t11-,16+/m0/s1
InChIKeyYJSMJACWKGEBKP-MEDUHNTESA-N
XLogP2.90
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol?
The IUPAC name of (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol (CID 146596748) is (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol.
What is the SMILES notation for (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol?
The canonical SMILES for (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol is CCO[C@@H](C)[C@@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O.
What is the InChIKey of (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol?
The InChIKey is YJSMJACWKGEBKP-MEDUHNTESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-24-11(2)16(18(3,4)23)22-10-20-14-15(22)12-8-6-7-9-13(12)21-17(14)19/h6-11,16,23H,5H2,1-4H3,(H2,19,21)/t11-,16+/m0/s1.
What are the key properties of (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol?
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol has a molecular weight of 328.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol is sourced from PubChem (CID 146596748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).