ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate

C24H26N2O3 — CID 17016302

IUPACethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(C(C)(C)C)cc3)c2c1
InChIInChI=1S/C24H26N2O3/c1-6-29-23(28)17-9-12-20-19(14-17)21(13-15(2)25-20)26-22(27)16-7-10-18(11-8-16)24(3,4)5/h7-14H,6H2,1-5H3,(H,25,26,27)
InChIKeyAWZYMFBYLGPIEG-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.27
Rot. Bonds4

About ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate

ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate (PubChem CID 17016302) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
PubChem CID17016302
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Nameethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(C(C)(C)C)cc3)c2c1
InChIInChI=1S/C24H26N2O3/c1-6-29-23(28)17-9-12-20-19(14-17)21(13-15(2)25-20)26-22(27)16-7-10-18(11-8-16)24(3,4)5/h7-14H,6H2,1-5H3,(H,25,26,27)
InChIKeyAWZYMFBYLGPIEG-UHFFFAOYSA-N
XLogP5.27
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016283
ethyl 4-(2,3-dimethylanilino)-2-methylquinoline-6-carboxylate
CID 2791220
ethyl 4-(4-chloroanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2919127
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
ethyl 3-[(4-tert-butylbenzoyl)amino]benzoate
CID 883989
ethyl 4-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016316
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2791223
4-(2-methoxyethylamino)-2-methylquinoline-6-carboxylic acid
CID 7137915
methyl 4-[(2-methoxybenzoyl)amino]-2-methylquinoline-6-carboxylate
CID 17016247
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
methyl 4-[(5-bromofuran-2-carbonyl)amino]-2-methylquinoline-6-carboxylate
CID 17016225

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate?
The IUPAC name of ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate (CID 17016302) is ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate?
The canonical SMILES for ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate is CCOC(=O)c1ccc2nc(C)cc(NC(=O)c3ccc(C(C)(C)C)cc3)c2c1.
What is the InChIKey of ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate?
The InChIKey is AWZYMFBYLGPIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-6-29-23(28)17-9-12-20-19(14-17)21(13-15(2)25-20)26-22(27)16-7-10-18(11-8-16)24(3,4)5/h7-14H,6H2,1-5H3,(H,25,26,27).
What are the key properties of ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate?
ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-tert-butylbenzoyl)amino]-2-methylquinoline-6-carboxylate is sourced from PubChem (CID 17016302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).