acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline

C20H20Cl2N2O6 — CID 159311482

IUPACacetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline
SMILESCC(=O)O.COc1cccc2c(Cl)cc(Cl)nc12.COc1ccccc1N.O=C=O
InChIInChI=1S/C10H7Cl2NO.C7H9NO.C2H4O2.CO2/c1-14-8-4-2-3-6-7(11)5-9(12)13-10(6)8;1-9-7-5-3-2-4-6(7)8;1-2(3)4;2-1-3/h2-5H,1H3;2-5H,8H2,1H3;1H3,(H,3,4);
InChIKeyLCPJHUXRMRARJS-UHFFFAOYSA-N
MW455.29 g/mol
LogP4.34
Rot. Bonds2

About acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline

acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline (PubChem CID 159311482) has the molecular formula C20H20Cl2N2O6 and a molecular weight of 455.29 g/mol. Its IUPAC name is acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline.

Molecular Properties

Compound Nameacetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline
PubChem CID159311482
Molecular FormulaC20H20Cl2N2O6
Molecular Weight455.29 g/mol
Exact Mass454.07
IUPAC Nameacetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline
SMILESCC(=O)O.COc1cccc2c(Cl)cc(Cl)nc12.COc1ccccc1N.O=C=O
InChIInChI=1S/C10H7Cl2NO.C7H9NO.C2H4O2.CO2/c1-14-8-4-2-3-6-7(11)5-9(12)13-10(6)8;1-9-7-5-3-2-4-6(7)8;1-2(3)4;2-1-3/h2-5H,1H3;2-5H,8H2,1H3;1H3,(H,3,4);
InChIKeyLCPJHUXRMRARJS-UHFFFAOYSA-N
XLogP4.34
TPSA128.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.29
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-7-methoxy-8-methylquinoline
CID 53400954
2,4-dichloro-8-propan-2-yloxyquinoline
CID 82581120
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
acetic acid;1-methoxyphenazine
CID 174937212
2,3-dihydroxybutanedioic acid;2-methoxyaniline
CID 175318404
2-methoxyaniline;dihydrochloride
CID 69020746
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
2-(2,6-dichlorophenyl)-8-methoxyquinoline-4-carboxylate
CID 7139771
acetic acid;(2-aminophenyl) carbonochloridate
CID 175237733
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
7-bromo-2,4-dichloro-8-methoxyquinoline
CID 162751085
1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
CID 105469677

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline?
The IUPAC name of acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline (CID 159311482) is acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline.
What is the SMILES notation for acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline?
The canonical SMILES for acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline is CC(=O)O.COc1cccc2c(Cl)cc(Cl)nc12.COc1ccccc1N.O=C=O.
What is the InChIKey of acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline?
The InChIKey is LCPJHUXRMRARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO.C7H9NO.C2H4O2.CO2/c1-14-8-4-2-3-6-7(11)5-9(12)13-10(6)8;1-9-7-5-3-2-4-6(7)8;1-2(3)4;2-1-3/h2-5H,1H3;2-5H,8H2,1H3;1H3,(H,3,4);.
What are the key properties of acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline?
acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline has a molecular weight of 455.29 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbon dioxide;2,4-dichloro-8-methoxyquinoline;2-methoxyaniline is sourced from PubChem (CID 159311482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).