ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride

C21H21ClN2O3 — CID 2917853

IUPACethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1.Cl
InChIInChI=1S/C21H20N2O3.ClH/c1-4-26-21(25)16-8-9-19-18(12-16)20(10-13(2)22-19)23-17-7-5-6-15(11-17)14(3)24;/h5-12H,4H2,1-3H3,(H,22,23);1H
InChIKeyPMLHCKBUMVYESB-UHFFFAOYSA-N
MW384.86 g/mol
LogP5.09
Rot. Bonds5

About ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride

ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride (PubChem CID 2917853) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
PubChem CID2917853
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Nameethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1.Cl
InChIInChI=1S/C21H20N2O3.ClH/c1-4-26-21(25)16-8-9-19-18(12-16)20(10-13(2)22-19)23-17-7-5-6-15(11-17)14(3)24;/h5-12H,4H2,1-3H3,(H,22,23);1H
InChIKeyPMLHCKBUMVYESB-UHFFFAOYSA-N
XLogP5.09
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.86
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2791223
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016302
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
ethyl 5-(3-acetylanilino)pyridine-3-carboxylate
CID 82535061

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride (CID 2917853) is ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride is CCOC(=O)c1ccc2nc(C)cc(Nc3cccc(C(C)=O)c3)c2c1.Cl.
What is the InChIKey of ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
The InChIKey is PMLHCKBUMVYESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3.ClH/c1-4-26-21(25)16-8-9-19-18(12-16)20(10-13(2)22-19)23-17-7-5-6-15(11-17)14(3)24;/h5-12H,4H2,1-3H3,(H,22,23);1H.
What are the key properties of ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride?
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride has a molecular weight of 384.86 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride is sourced from PubChem (CID 2917853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).