8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline

C22H19Cl2N3O4 — CID 19957915

IUPAC8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline
SMILESCOCc1cnc2c(Cl)ccc([N+](=O)[O-])c2c1.COCc1cnc2c(Cl)cccc2c1
InChIInChI=1S/C11H9ClN2O3.C11H10ClNO/c1-17-6-7-4-8-10(14(15)16)3-2-9(12)11(8)13-5-7;1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-5H,6H2,1H3;2-6H,7H2,1H3
InChIKeyCAJHTQZTOTYSSM-UHFFFAOYSA-N
MW460.32 g/mol
LogP5.98
Rot. Bonds5

About 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline

8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline (PubChem CID 19957915) has the molecular formula C22H19Cl2N3O4 and a molecular weight of 460.32 g/mol. Its IUPAC name is 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline.

Molecular Properties

Compound Name8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline
PubChem CID19957915
Molecular FormulaC22H19Cl2N3O4
Molecular Weight460.32 g/mol
Exact Mass459.08
IUPAC Name8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline
SMILESCOCc1cnc2c(Cl)ccc([N+](=O)[O-])c2c1.COCc1cnc2c(Cl)cccc2c1
InChIInChI=1S/C11H9ClN2O3.C11H10ClNO/c1-17-6-7-4-8-10(14(15)16)3-2-9(12)11(8)13-5-7;1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-5H,6H2,1H3;2-6H,7H2,1H3
InChIKeyCAJHTQZTOTYSSM-UHFFFAOYSA-N
XLogP5.98
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(8-methoxy-7-nitroquinolin-3-yl)methanol
CID 175831814
3-ethyl-8-nitroquinoline
CID 119082070
3-bromo-5-[(2-chloro-6-nitrophenoxy)methyl]pyridine
CID 103764410
2-[(4-chloro-3-nitrophenyl)methoxy]-1,3-dimethylbenzene
CID 43350369
3-chloro-N-[[4-(methoxymethyl)phenyl]methyl]-4-nitroaniline
CID 82865316
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
CID 67313867
1-chloro-4-[(4-methoxyphenyl)methoxy]-2-nitrobenzene
CID 10661416
1-methoxy-2-nitronaphthalene
CID 10899709
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline?
The IUPAC name of 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline (CID 19957915) is 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline.
What is the SMILES notation for 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline?
The canonical SMILES for 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline is COCc1cnc2c(Cl)ccc([N+](=O)[O-])c2c1.COCc1cnc2c(Cl)cccc2c1.
What is the InChIKey of 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline?
The InChIKey is CAJHTQZTOTYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3.C11H10ClNO/c1-17-6-7-4-8-10(14(15)16)3-2-9(12)11(8)13-5-7;1-14-7-8-5-9-3-2-4-10(12)11(9)13-6-8/h2-5H,6H2,1H3;2-6H,7H2,1H3.
What are the key properties of 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline?
8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline has a molecular weight of 460.32 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(methoxymethyl)-5-nitroquinoline;8-chloro-3-(methoxymethyl)quinoline is sourced from PubChem (CID 19957915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).