3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol

C19H18N4O2 — CID 138607621

IUPAC3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
SMILESNc1nc2cc(-c3cccc(O)c3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H18N4O2/c20-19-18-17(22-16(23-18)5-2-8-24)14-7-6-12(10-15(14)21-19)11-3-1-4-13(25)9-11/h1,3-4,6-7,9-10,24-25H,2,5,8H2,(H2,20,21)(H,22,23)
InChIKeyIZBRBTSQRLYNBD-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.99
Rot. Bonds4

About 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol

3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol (PubChem CID 138607621) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol.

Molecular Properties

Compound Name3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
PubChem CID138607621
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol
SMILESNc1nc2cc(-c3cccc(O)c3)ccc2c2nc(CCCO)[nH]c12
InChIInChI=1S/C19H18N4O2/c20-19-18-17(22-16(23-18)5-2-8-24)14-7-6-12(10-15(14)21-19)11-3-1-4-13(25)9-11/h1,3-4,6-7,9-10,24-25H,2,5,8H2,(H2,20,21)(H,22,23)
InChIKeyIZBRBTSQRLYNBD-UHFFFAOYSA-N
XLogP2.99
TPSA108.05 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol?
The IUPAC name of 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol (CID 138607621) is 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol.
What is the SMILES notation for 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol?
The canonical SMILES for 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol is Nc1nc2cc(-c3cccc(O)c3)ccc2c2nc(CCCO)[nH]c12.
What is the InChIKey of 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol?
The InChIKey is IZBRBTSQRLYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19-18-17(22-16(23-18)5-2-8-24)14-7-6-12(10-15(14)21-19)11-3-1-4-13(25)9-11/h1,3-4,6-7,9-10,24-25H,2,5,8H2,(H2,20,21)(H,22,23).
What are the key properties of 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol?
3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol has a molecular weight of 334.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-(3-hydroxypropyl)-3H-imidazo[4,5-c]quinolin-7-yl]phenol is sourced from PubChem (CID 138607621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).