ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride

C20H20Cl2N2O2 — CID 2789452

IUPACethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1.Cl
InChIInChI=1S/C20H19ClN2O2.ClH/c1-3-25-20(24)16-12-23-18-13(2)17(21)10-9-15(18)19(16)22-11-14-7-5-4-6-8-14;/h4-10,12H,3,11H2,1-2H3,(H,22,23);1H
InChIKeyNRUGWDCELBWOMC-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.41
Rot. Bonds5

About ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride

ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride (PubChem CID 2789452) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
PubChem CID2789452
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Nameethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1.Cl
InChIInChI=1S/C20H19ClN2O2.ClH/c1-3-25-20(24)16-12-23-18-13(2)17(21)10-9-15(18)19(16)22-11-14-7-5-4-6-8-14;/h4-10,12H,3,11H2,1-2H3,(H,22,23);1H
InChIKeyNRUGWDCELBWOMC-UHFFFAOYSA-N
XLogP5.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791596
ethyl 4-(benzylamino)-7-chloro-8-methylquinolin-1-ium-3-carboxylate
CID 6973001
ethyl 8-chloro-4-(2-phenylethylamino)quinoline-3-carboxylate
CID 1181324
7-chloro-8-methyl-4-(2-phenylethylamino)quinoline-3-carboxylic acid
CID 2241674
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 4-(benzylamino)-6-fluoroquinoline-3-carboxylate
CID 732002
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 6,8-dichloro-4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 1189481
ethyl 8-bromo-4-[(4-methoxyphenyl)methylamino]quinoline-3-carboxylate
CID 86692233
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
ethyl 8-chloro-4-(ethylamino)-6-methylquinoline-3-carboxylate
CID 63486779

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride (CID 2789452) is ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride is CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCc1ccccc1.Cl.
What is the InChIKey of ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride?
The InChIKey is NRUGWDCELBWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2.ClH/c1-3-25-20(24)16-12-23-18-13(2)17(21)10-9-15(18)19(16)22-11-14-7-5-4-6-8-14;/h4-10,12H,3,11H2,1-2H3,(H,22,23);1H.
What are the key properties of ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride?
ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(benzylamino)-7-chloro-8-methylquinoline-3-carboxylate;hydrochloride is sourced from PubChem (CID 2789452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).