3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol

C14H15N3O3 — CID 103357735

IUPAC3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
SMILESCC1(O)CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1
InChIInChI=1S/C14H15N3O3/c1-14(18)6-8-16(9-14)11-4-5-12(17(19)20)13-10(11)3-2-7-15-13/h2-5,7,18H,6,8-9H2,1H3
InChIKeyUPHNQWGJENDGRO-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.10
Rot. Bonds2

About 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol

3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol (PubChem CID 103357735) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
PubChem CID103357735
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol
SMILESCC1(O)CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1
InChIInChI=1S/C14H15N3O3/c1-14(18)6-8-16(9-14)11-4-5-12(17(19)20)13-10(11)3-2-7-15-13/h2-5,7,18H,6,8-9H2,1H3
InChIKeyUPHNQWGJENDGRO-UHFFFAOYSA-N
XLogP2.10
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.10
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 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol (CID 103357735) is 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol is CC1(O)CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1.
What is the InChIKey of 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol?
The InChIKey is UPHNQWGJENDGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(18)6-8-16(9-14)11-4-5-12(17(19)20)13-10(11)3-2-7-15-13/h2-5,7,18H,6,8-9H2,1H3.
What are the key properties of 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol?
3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol has a molecular weight of 273.29 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(8-nitroquinolin-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103357735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).