ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride

C17H20Cl2N2O3 — CID 2789457

IUPACethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1.Cl
InChIInChI=1S/C17H19ClN2O3.ClH/c1-3-23-17(21)13-10-19-15-11(2)14(18)5-4-12(15)16(13)20-6-8-22-9-7-20;/h4-5,10H,3,6-9H2,1-2H3;1H
InChIKeyRXTDBQYSFCLVDH-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.63
Rot. Bonds3

About ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride

ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride (PubChem CID 2789457) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride
PubChem CID2789457
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Nameethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1.Cl
InChIInChI=1S/C17H19ClN2O3.ClH/c1-3-23-17(21)13-10-19-15-11(2)14(18)5-4-12(15)16(13)20-6-8-22-9-7-20;/h4-5,10H,3,6-9H2,1-2H3;1H
InChIKeyRXTDBQYSFCLVDH-UHFFFAOYSA-N
XLogP3.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride (CID 2789457) is ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1N1CCOCC1.Cl.
What is the InChIKey of ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride?
The InChIKey is RXTDBQYSFCLVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3.ClH/c1-3-23-17(21)13-10-19-15-11(2)14(18)5-4-12(15)16(13)20-6-8-22-9-7-20;/h4-5,10H,3,6-9H2,1-2H3;1H.
What are the key properties of ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride?
ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride has a molecular weight of 371.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-8-methyl-4-morpholin-4-ylquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2789457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).