(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol

C17H19N3O2 — CID 158566290

IUPAC(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol
SMILESCC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C17H19N3O2/c1-2-13(21)10-22-16-8-17(18)20-15-7-11(3-4-14(15)16)12-5-6-19-9-12/h3-8,13,21H,2,9-10H2,1H3,(H2,18,20)/t13-/m1/s1
InChIKeyDJVADQWYYBCQIL-CYBMUJFWSA-N
MW297.36 g/mol
LogP2.43
Rot. Bonds5

About (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol

(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol (PubChem CID 158566290) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol
PubChem CID158566290
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol
SMILESCC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12
InChIInChI=1S/C17H19N3O2/c1-2-13(21)10-22-16-8-17(18)20-15-7-11(3-4-14(15)16)12-5-6-19-9-12/h3-8,13,21H,2,9-10H2,1H3,(H2,18,20)/t13-/m1/s1
InChIKeyDJVADQWYYBCQIL-CYBMUJFWSA-N
XLogP2.43
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol?
The IUPAC name of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol (CID 158566290) is (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol.
What is the SMILES notation for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol?
The canonical SMILES for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol is CC[C@@H](O)COc1cc(N)nc2cc(C3=CC=NC3)ccc12.
What is the InChIKey of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol?
The InChIKey is DJVADQWYYBCQIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-13(21)10-22-16-8-17(18)20-15-7-11(3-4-14(15)16)12-5-6-19-9-12/h3-8,13,21H,2,9-10H2,1H3,(H2,18,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol?
(2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol has a molecular weight of 297.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]oxybutan-2-ol is sourced from PubChem (CID 158566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).