1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol

C14H15FN2O3 — CID 83165223

IUPAC1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
SMILESCCCC(O)Cc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15FN2O3/c1-2-4-9(18)7-11-12(15)8-13(17(19)20)10-5-3-6-16-14(10)11/h3,5-6,8-9,18H,2,4,7H2,1H3
InChIKeyPJHWYBUABWDECB-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.99
Rot. Bonds5

About 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol

1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol (PubChem CID 83165223) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
PubChem CID83165223
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol
SMILESCCCC(O)Cc1c(F)cc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H15FN2O3/c1-2-4-9(18)7-11-12(15)8-13(17(19)20)10-5-3-6-16-14(10)11/h3,5-6,8-9,18H,2,4,7H2,1H3
InChIKeyPJHWYBUABWDECB-UHFFFAOYSA-N
XLogP2.99
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

1-(7-fluoro-5-nitroquinolin-8-yl)-N-methylpropan-2-amine
CID 83163979
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanol
CID 83165720
8-(2-bromo-3-methoxypropyl)-7-fluoro-5-nitroquinoline
CID 83166218
1-cyclopropyl-2-(7-fluoro-5-nitroquinolin-8-yl)ethanamine
CID 83164334
3-(7-fluoro-5-nitroquinolin-8-yl)-4-methylpentan-2-ol
CID 83164695
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutan-2-ol
CID 107771097
N-butyl-7-fluoro-5-nitroquinolin-8-amine
CID 83165198
3-(7-fluoro-5-nitroquinolin-8-yl)sulfanylbutanoic acid
CID 83164137
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
2-[(7-fluoro-5-nitroquinolin-8-yl)-methylamino]ethanol
CID 83164329
2-[(7-fluoro-5-nitroquinolin-8-yl)-(2-hydroxyethyl)amino]ethanol
CID 83164503
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol?
The IUPAC name of 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol (CID 83165223) is 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol.
What is the SMILES notation for 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol?
The canonical SMILES for 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol is CCCC(O)Cc1c(F)cc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol?
The InChIKey is PJHWYBUABWDECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-4-9(18)7-11-12(15)8-13(17(19)20)10-5-3-6-16-14(10)11/h3,5-6,8-9,18H,2,4,7H2,1H3.
What are the key properties of 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol?
1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol has a molecular weight of 278.28 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-5-nitroquinolin-8-yl)pentan-2-ol is sourced from PubChem (CID 83165223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).