5-chloro-8-[(2-nitrophenyl)methoxy]quinoline

C16H11ClN2O3 — CID 752750

IUPAC5-chloro-8-[(2-nitrophenyl)methoxy]quinoline
SMILESO=[N+]([O-])c1ccccc1COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11ClN2O3/c17-13-7-8-15(16-12(13)5-3-9-18-16)22-10-11-4-1-2-6-14(11)19(20)21/h1-9H,10H2
InChIKeyNDLIZHPRVJHAJV-UHFFFAOYSA-N
MW314.73 g/mol
LogP4.38
Rot. Bonds4

About 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline

5-chloro-8-[(2-nitrophenyl)methoxy]quinoline (PubChem CID 752750) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(2-nitrophenyl)methoxy]quinoline
PubChem CID752750
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name5-chloro-8-[(2-nitrophenyl)methoxy]quinoline
SMILESO=[N+]([O-])c1ccccc1COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H11ClN2O3/c17-13-7-8-15(16-12(13)5-3-9-18-16)22-10-11-4-1-2-6-14(11)19(20)21/h1-9H,10H2
InChIKeyNDLIZHPRVJHAJV-UHFFFAOYSA-N
XLogP4.38
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 54.38
H-Bond Donors ≤ 50
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

Cloquintocet-mexyl
CID 93528
Chloroacetoxyquinoline
CID 2718
5-Chloro-8-phenoxyquinoline
CID 2767025
Cloquintocet
CID 15257197
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate
CID 342201
4-Chloro-2-((5-chloroquinolin-8-YL)oxy)phenol
CID 11208953
5-chloroquinolin-8-yl N,N-diethylcarbamate
CID 712597
2-Methyl-8-[(3-nitrophenyl)methoxy]quinoline
CID 952033
8-[(4-Nitrophenyl)methoxy]quinoline
CID 372051
Mls003115987
CID 330737
5-Chloro-8-quinolyl N-phenylcarbamate
CID 853660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline?
The IUPAC name of 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline (CID 752750) is 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline?
The canonical SMILES for 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline is O=[N+]([O-])c1ccccc1COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline?
The InChIKey is NDLIZHPRVJHAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c17-13-7-8-15(16-12(13)5-3-9-18-16)22-10-11-4-1-2-6-14(11)19(20)21/h1-9H,10H2.
What are the key properties of 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline?
5-chloro-8-[(2-nitrophenyl)methoxy]quinoline has a molecular weight of 314.73 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(2-nitrophenyl)methoxy]quinoline is sourced from PubChem (CID 752750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).