N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

C120H135N11O13 — CID 157151486

About N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate

N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (PubChem CID 157151486) has the molecular formula C120H135N11O13 and a molecular weight of 1939.46 g/mol. Its IUPAC name is N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.

Molecular Properties

• Compound Name: N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
• PubChem CID: 157151486
• Molecular Formula: C120H135N11O13
• Molecular Weight: 1939.46 g/mol
• Exact Mass: 1938.02
• IUPAC Name: N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate
• SMILES: C=C(C)OCC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1.CCCCCNc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c1
• InChI: InChI=1S/C31H33N3O4.C31H37N3O3.C30H34N2O4.C28H31N3O2/c1-19(2)38-18-31(37)23-9-12-26(13-10-23)33-29-15-20(3)34(22(5)36)30-14-11-25(17-28(29)30)24-7-6-8-27(16-24)32-21(4)35;1-5-6-7-17-32-27-10-8-9-24(19-27)25-13-16-30-28(20-25)29(18-21(2)34(30)22(3)35)33-26-14-11-23(12-15-26)31(36)37-4;1-5-6-16-36-26-9-7-8-23(18-26)24-12-15-29-27(19-24)28(17-20(2)32(29)21(3)33)31-25-13-10-22(11-14-25)30(34)35-4;1-5-21-8-6-10-24(15-21)30-27-14-18(2)31(20(4)33)28-13-12-23(17-26(27)28)22-9-7-11-25(16-22)29-19(3)32/h6-14,16-17,20,29,33H,1,15,18H2,2-5H3,(H,32,35);8-16,19-21,29,32-33H,5-7,17-18H2,1-4H3;7-15,18-20,28,31H,5-6,16-17H2,1-4H3;6-13,15-18,27,30H,5,14H2,1-4H3,(H,29,32)/t20-,29+;21-,29+;20-,28+;18-,27+/m0000/s1
• InChIKey: ALHNCDZLXLCNRV-PRKVGLGJSA-N
• XLogP: 26.17
• TPSA: 287.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.46
LogP ≤ 5	26.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The IUPAC name of N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate (CID 157151486) is N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate.

What is the SMILES notation for N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The canonical SMILES for N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is C=C(C)OCC(=O)c1ccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)cc1.CCCCCNc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCCCOc1cccc(-c2ccc3c(c2)[C@H](Nc2ccc(C(=O)OC)cc2)C[C@H](C)N3C(C)=O)c1.CCc1cccc(N[C@@H]2C[C@H](C)N(C(C)=O)c3ccc(-c4cccc(NC(C)=O)c4)cc32)c1.

What is the InChIKey of N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

The InChIKey is ALHNCDZLXLCNRV-PRKVGLGJSA-N. The full InChI is InChI=1S/C31H33N3O4.C31H37N3O3.C30H34N2O4.C28H31N3O2/c1-19(2)38-18-31(37)23-9-12-26(13-10-23)33-29-15-20(3)34(22(5)36)30-14-11-25(17-28(29)30)24-7-6-8-27(16-24)32-21(4)35;1-5-6-7-17-32-27-10-8-9-24(19-27)25-13-16-30-28(20-25)29(18-21(2)34(30)22(3)35)33-26-14-11-23(12-15-26)31(36)37-4;1-5-6-16-36-26-9-7-8-23(18-26)24-12-15-29-27(19-24)28(17-20(2)32(29)21(3)33)31-25-13-10-22(11-14-25)30(34)35-4;1-5-21-8-6-10-24(15-21)30-27-14-18(2)31(20(4)33)28-13-12-23(17-26(27)28)22-9-7-11-25(16-22)29-19(3)32/h6-14,16-17,20,29,33H,1,15,18H2,2-5H3,(H,32,35);8-16,19-21,29,32-33H,5-7,17-18H2,1-4H3;7-15,18-20,28,31H,5-6,16-17H2,1-4H3;6-13,15-18,27,30H,5,14H2,1-4H3,(H,29,32)/t20-,29+;21-,29+;20-,28+;18-,27+/m0000/s1.

What are the key properties of N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate?

N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate has a molecular weight of 1939.46 g/mol, XLogP of 26.17, 30 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S,4R)-1-acetyl-4-(3-ethylanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;N-[3-[(2S,4R)-1-acetyl-2-methyl-4-[4-(2-prop-1-en-2-yloxyacetyl)anilino]-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide;methyl 4-[[(2S,4R)-1-acetyl-6-(3-butoxyphenyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate;methyl 4-[[(2S,4R)-1-acetyl-2-methyl-6-[3-(pentylamino)phenyl]-3,4-dihydro-2H-quinolin-4-yl]amino]benzoate is sourced from PubChem (CID 157151486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).