ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride

C19H18ClNO2 — CID 12006291

IUPACethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)nc2ccccc2c1-c1ccccc1.Cl
InChIInChI=1S/C19H17NO2.ClH/c1-3-22-19(21)17-13(2)20-16-12-8-7-11-15(16)18(17)14-9-5-4-6-10-14;/h4-12H,3H2,1-2H3;1H
InChIKeyUFKAZZDNVNYYJH-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.81
Rot. Bonds3

About ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride

ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride (PubChem CID 12006291) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride
PubChem CID12006291
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Nameethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)nc2ccccc2c1-c1ccccc1.Cl
InChIInChI=1S/C19H17NO2.ClH/c1-3-22-19(21)17-13(2)20-16-12-8-7-11-15(16)18(17)14-9-5-4-6-10-14;/h4-12H,3H2,1-2H3;1H
InChIKeyUFKAZZDNVNYYJH-UHFFFAOYSA-N
XLogP4.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride (CID 12006291) is ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1c(C)nc2ccccc2c1-c1ccccc1.Cl.
What is the InChIKey of ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride?
The InChIKey is UFKAZZDNVNYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2.ClH/c1-3-22-19(21)17-13(2)20-16-12-8-7-11-15(16)18(17)14-9-5-4-6-10-14;/h4-12H,3H2,1-2H3;1H.
What are the key properties of ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride?
ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-phenylquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 12006291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).