(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol

C14H15N3O3 — CID 71416087

IUPAC(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(CN3CC[C@@H](O)C3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-13-5-6-16(9-13)8-11-2-1-10-7-12(17(19)20)3-4-14(10)15-11/h1-4,7,13,18H,5-6,8-9H2/t13-/m1/s1
InChIKeyIHKZRAKSZJHBKZ-CYBMUJFWSA-N
MW273.29 g/mol
LogP1.71
Rot. Bonds3

About (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol

(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 71416087) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol
PubChem CID71416087
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(CN3CC[C@@H](O)C3)ccc2c1
InChIInChI=1S/C14H15N3O3/c18-13-5-6-16(9-13)8-11-2-1-10-7-12(17(19)20)3-4-14(10)15-11/h1-4,7,13,18H,5-6,8-9H2/t13-/m1/s1
InChIKeyIHKZRAKSZJHBKZ-CYBMUJFWSA-N
XLogP1.71
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol (CID 71416087) is (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol is O=[N+]([O-])c1ccc2nc(CN3CC[C@@H](O)C3)ccc2c1.
What is the InChIKey of (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IHKZRAKSZJHBKZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13-5-6-16(9-13)8-11-2-1-10-7-12(17(19)20)3-4-14(10)15-11/h1-4,7,13,18H,5-6,8-9H2/t13-/m1/s1.
What are the key properties of (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol?
(3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 273.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(6-nitroquinolin-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 71416087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).