4-chloro-5-methoxy-8-nitroquinoline

C10H7ClN2O3 — CID 19592414

IUPAC4-chloro-5-methoxy-8-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2nccc(Cl)c12
InChIInChI=1S/C10H7ClN2O3/c1-16-8-3-2-7(13(14)15)10-9(8)6(11)4-5-12-10/h2-5H,1H3
InChIKeyHQNXNSAKYVUIKB-UHFFFAOYSA-N
MW238.63 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-5-methoxy-8-nitroquinoline

4-chloro-5-methoxy-8-nitroquinoline (PubChem CID 19592414) has the molecular formula C10H7ClN2O3 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-chloro-5-methoxy-8-nitroquinoline.

Molecular Properties

Compound Name4-chloro-5-methoxy-8-nitroquinoline
PubChem CID19592414
Molecular FormulaC10H7ClN2O3
Molecular Weight238.63 g/mol
Exact Mass238.01
IUPAC Name4-chloro-5-methoxy-8-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2nccc(Cl)c12
InChIInChI=1S/C10H7ClN2O3/c1-16-8-3-2-7(13(14)15)10-9(8)6(11)4-5-12-10/h2-5H,1H3
InChIKeyHQNXNSAKYVUIKB-UHFFFAOYSA-N
XLogP2.81
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 52.81
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

4,5-dichloro-8-methoxyquinoline
CID 43531957
4-chloro-5,8-dimethyl-6-nitroquinoline
CID 10537819
4-chloro-8-methyl-7-nitroquinoline
CID 10242674
4-cyclopentyl-8-methoxy-5-nitroquinoline
CID 155676091
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
1-chloro-5,6-dimethoxy-8-nitroisoquinoline
CID 82571494
4-chloro-3-methoxy-2-nitropyridine
CID 118816887
2-chloro-6-methoxy-3-nitrobenzenethiol
CID 170559954
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
4-chloro-5-nitroquinoline
CID 12582845
4-chloro-6-methyl-8-nitroquinoline
CID 19592802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-8-nitroquinoline?
The IUPAC name of 4-chloro-5-methoxy-8-nitroquinoline (CID 19592414) is 4-chloro-5-methoxy-8-nitroquinoline.
What is the SMILES notation for 4-chloro-5-methoxy-8-nitroquinoline?
The canonical SMILES for 4-chloro-5-methoxy-8-nitroquinoline is COc1ccc([N+](=O)[O-])c2nccc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxy-8-nitroquinoline?
The InChIKey is HQNXNSAKYVUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3/c1-16-8-3-2-7(13(14)15)10-9(8)6(11)4-5-12-10/h2-5H,1H3.
What are the key properties of 4-chloro-5-methoxy-8-nitroquinoline?
4-chloro-5-methoxy-8-nitroquinoline has a molecular weight of 238.63 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-8-nitroquinoline is sourced from PubChem (CID 19592414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).