[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride

C23H26Cl2N2O5 — CID 166634495

IUPAC[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCOc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12.Cl
InChIInChI=1S/C23H25ClN2O5.ClH/c1-14-7-5-6-8-16(14)21-15(2)26-19-12-20(28-4)18(24)11-17(19)22(21)30-13-31-23(27)29-10-9-25-3;/h5-8,11-12,25H,9-10,13H2,1-4H3;1H
InChIKeyOAXACNGKENRJPD-UHFFFAOYSA-N
MW481.38 g/mol
LogP5.31
Rot. Bonds8

About [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride

[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride (PubChem CID 166634495) has the molecular formula C23H26Cl2N2O5 and a molecular weight of 481.38 g/mol. Its IUPAC name is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride
PubChem CID166634495
Molecular FormulaC23H26Cl2N2O5
Molecular Weight481.38 g/mol
Exact Mass480.12
IUPAC Name[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride
SMILESCNCCOC(=O)OCOc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12.Cl
InChIInChI=1S/C23H25ClN2O5.ClH/c1-14-7-5-6-8-16(14)21-15(2)26-19-12-20(28-4)18(24)11-17(19)22(21)30-13-31-23(27)29-10-9-25-3;/h5-8,11-12,25H,9-10,13H2,1-4H3;1H
InChIKeyOAXACNGKENRJPD-UHFFFAOYSA-N
XLogP5.31
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The IUPAC name of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride (CID 166634495) is [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride.
What is the SMILES notation for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The canonical SMILES for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride is CNCCOC(=O)OCOc1c(-c2ccccc2C)c(C)nc2cc(OC)c(Cl)cc12.Cl.
What is the InChIKey of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride?
The InChIKey is OAXACNGKENRJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5.ClH/c1-14-7-5-6-8-16(14)21-15(2)26-19-12-20(28-4)18(24)11-17(19)22(21)30-13-31-23(27)29-10-9-25-3;/h5-8,11-12,25H,9-10,13H2,1-4H3;1H.
What are the key properties of [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride?
[6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride has a molecular weight of 481.38 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-7-methoxy-2-methyl-3-(2-methylphenyl)quinolin-4-yl]oxymethyl 2-(methylamino)ethyl carbonate;hydrochloride is sourced from PubChem (CID 166634495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).