4-azido-6-methoxy-3-nitroquinoline

C10H7N5O3 — CID 169448058

IUPAC4-azido-6-methoxy-3-nitroquinoline
SMILESCOc1ccc2ncc([N+](=O)[O-])c(N=[N+]=[N-])c2c1
InChIInChI=1S/C10H7N5O3/c1-18-6-2-3-8-7(4-6)10(13-14-11)9(5-12-8)15(16)17/h2-5H,1H3
InChIKeyPYWWHFTUPNVHCI-UHFFFAOYSA-N
MW245.20 g/mol
LogP3.09
Rot. Bonds3

About 4-azido-6-methoxy-3-nitroquinoline

4-azido-6-methoxy-3-nitroquinoline (PubChem CID 169448058) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-azido-6-methoxy-3-nitroquinoline.

Molecular Properties

Compound Name4-azido-6-methoxy-3-nitroquinoline
PubChem CID169448058
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC Name4-azido-6-methoxy-3-nitroquinoline
SMILESCOc1ccc2ncc([N+](=O)[O-])c(N=[N+]=[N-])c2c1
InChIInChI=1S/C10H7N5O3/c1-18-6-2-3-8-7(4-6)10(13-14-11)9(5-12-8)15(16)17/h2-5H,1H3
InChIKeyPYWWHFTUPNVHCI-UHFFFAOYSA-N
XLogP3.09
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-azido-3-nitroquinoline
CID 112704025
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
2-azido-1-bromo-5-methoxy-3-nitrobenzene
CID 169324865
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
6-methoxy-N-[(2S,4S)-2-methyloxan-4-yl]-3-nitroquinolin-4-amine
CID 126666776
4-azido-7-methoxyquinoline
CID 4233800
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethane;5-methoxy-2-nitrophenol
CID 143133372
2-azido-4-methoxypyridine
CID 102249989
4-amino-6-methoxyquinolin-3-ol
CID 84662489
2,4-bis(4-methoxyphenoxy)-5-nitropyrimidine
CID 58243049

Frequently Asked Questions

What is the IUPAC name of 4-azido-6-methoxy-3-nitroquinoline?
The IUPAC name of 4-azido-6-methoxy-3-nitroquinoline (CID 169448058) is 4-azido-6-methoxy-3-nitroquinoline.
What is the SMILES notation for 4-azido-6-methoxy-3-nitroquinoline?
The canonical SMILES for 4-azido-6-methoxy-3-nitroquinoline is COc1ccc2ncc([N+](=O)[O-])c(N=[N+]=[N-])c2c1.
What is the InChIKey of 4-azido-6-methoxy-3-nitroquinoline?
The InChIKey is PYWWHFTUPNVHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3/c1-18-6-2-3-8-7(4-6)10(13-14-11)9(5-12-8)15(16)17/h2-5H,1H3.
What are the key properties of 4-azido-6-methoxy-3-nitroquinoline?
4-azido-6-methoxy-3-nitroquinoline has a molecular weight of 245.20 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-6-methoxy-3-nitroquinoline is sourced from PubChem (CID 169448058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).