[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol

C14H14FN3O3 — CID 83164690

IUPAC[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(F)c(N2CCC(CO)C2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-4-16-13(10)14(11)17-5-3-9(7-17)8-19/h1-2,4,6,9,19H,3,5,7-8H2
InChIKeySWOVTPRJRBQKFQ-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.10
Rot. Bonds3

About [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol

[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol (PubChem CID 83164690) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol
PubChem CID83164690
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol
SMILESO=[N+]([O-])c1cc(F)c(N2CCC(CO)C2)c2ncccc12
InChIInChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-4-16-13(10)14(11)17-5-3-9(7-17)8-19/h1-2,4,6,9,19H,3,5,7-8H2
InChIKeySWOVTPRJRBQKFQ-UHFFFAOYSA-N
XLogP2.10
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
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 [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol (CID 83164690) is [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol is O=[N+]([O-])c1cc(F)c(N2CCC(CO)C2)c2ncccc12.
What is the InChIKey of [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol?
The InChIKey is SWOVTPRJRBQKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c15-11-6-12(18(20)21)10-2-1-4-16-13(10)14(11)17-5-3-9(7-17)8-19/h1-2,4,6,9,19H,3,5,7-8H2.
What are the key properties of [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol?
[1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol has a molecular weight of 291.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-fluoro-5-nitroquinolin-8-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 83164690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).