N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate

C115H118Cl3FN10O14 — CID 162017994

IUPACN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate
SMILESCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21.CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCC(=O)N3CCCC3)cc2)c2ccccc21.CCOC(=O)CCCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1.COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C33H36ClN3O4.C31H33ClN2O5.C26H27N3O3.C25H22ClFN2O2/c1-23-22-31(37(24(2)38)27-15-13-26(34)14-16-27)29-8-3-4-9-30(29)36(23)33(40)25-11-17-28(18-12-25)41-21-7-10-32(39)35-19-5-6-20-35;1-4-38-30(36)10-7-19-39-26-17-11-23(12-18-26)31(37)33-21(2)20-29(27-8-5-6-9-28(27)33)34(22(3)35)25-15-13-24(32)14-16-25;1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19;1-16-15-24(29(17(2)30)21-13-9-19(26)10-14-21)22-5-3-4-6-23(22)28(16)25(31)18-7-11-20(27)12-8-18/h3-4,8-9,11-18,23,31H,5-7,10,19-22H2,1-2H3;5-6,8-9,11-18,21,29H,4,7,10,19-20H2,1-3H3;4-15,17,25H,16,27H2,1-3H3;3-14,16,24H,15H2,1-2H3/t23-,31+;21-,29+;17-,25+;16-,24+/m0000/s1
InChIKeyYUJGTUOMXYQZQD-YRIHBDNHSA-N
MW1989.62 g/mol
LogP24.07
Rot. Bonds24

About N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate

N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate (PubChem CID 162017994) has the molecular formula C115H118Cl3FN10O14 and a molecular weight of 1989.62 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate
PubChem CID162017994
Molecular FormulaC115H118Cl3FN10O14
Molecular Weight1989.62 g/mol
Exact Mass1986.79
IUPAC NameN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate
SMILESCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21.CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCC(=O)N3CCCC3)cc2)c2ccccc21.CCOC(=O)CCCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1.COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C33H36ClN3O4.C31H33ClN2O5.C26H27N3O3.C25H22ClFN2O2/c1-23-22-31(37(24(2)38)27-15-13-26(34)14-16-27)29-8-3-4-9-30(29)36(23)33(40)25-11-17-28(18-12-25)41-21-7-10-32(39)35-19-5-6-20-35;1-4-38-30(36)10-7-19-39-26-17-11-23(12-18-26)31(37)33-21(2)20-29(27-8-5-6-9-28(27)33)34(22(3)35)25-15-13-24(32)14-16-25;1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19;1-16-15-24(29(17(2)30)21-13-9-19(26)10-14-21)22-5-3-4-6-23(22)28(16)25(31)18-7-11-20(27)12-8-18/h3-4,8-9,11-18,23,31H,5-7,10,19-22H2,1-2H3;5-6,8-9,11-18,21,29H,4,7,10,19-20H2,1-3H3;4-15,17,25H,16,27H2,1-3H3;3-14,16,24H,15H2,1-2H3/t23-,31+;21-,29+;17-,25+;16-,24+/m0000/s1
InChIKeyYUJGTUOMXYQZQD-YRIHBDNHSA-N
XLogP24.07
TPSA262.80 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001989.62
LogP ≤ 524.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate?
The IUPAC name of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate (CID 162017994) is N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate.
What is the SMILES notation for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate?
The canonical SMILES for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate is CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21.CC(=O)N(c1ccc(Cl)cc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OCCCC(=O)N3CCCC3)cc2)c2ccccc21.CCOC(=O)CCCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1.COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate?
The InChIKey is YUJGTUOMXYQZQD-YRIHBDNHSA-N. The full InChI is InChI=1S/C33H36ClN3O4.C31H33ClN2O5.C26H27N3O3.C25H22ClFN2O2/c1-23-22-31(37(24(2)38)27-15-13-26(34)14-16-27)29-8-3-4-9-30(29)36(23)33(40)25-11-17-28(18-12-25)41-21-7-10-32(39)35-19-5-6-20-35;1-4-38-30(36)10-7-19-39-26-17-11-23(12-18-26)31(37)33-21(2)20-29(27-8-5-6-9-28(27)33)34(22(3)35)25-15-13-24(32)14-16-25;1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19;1-16-15-24(29(17(2)30)21-13-9-19(26)10-14-21)22-5-3-4-6-23(22)28(16)25(31)18-7-11-20(27)12-8-18/h3-4,8-9,11-18,23,31H,5-7,10,19-22H2,1-2H3;5-6,8-9,11-18,21,29H,4,7,10,19-20H2,1-3H3;4-15,17,25H,16,27H2,1-3H3;3-14,16,24H,15H2,1-2H3/t23-,31+;21-,29+;17-,25+;16-,24+/m0000/s1.
What are the key properties of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate?
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate has a molecular weight of 1989.62 g/mol, XLogP of 24.07, 24 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide;N-(4-chlorophenyl)-N-[(2S,4R)-2-methyl-1-[4-(4-oxo-4-pyrrolidin-1-ylbutoxy)benzoyl]-3,4-dihydro-2H-quinolin-4-yl]acetamide;ethyl 4-[4-[(2S,4R)-4-(N-acetyl-4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]butanoate is sourced from PubChem (CID 162017994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).