methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

C102H131Cl5F6N14O19 — CID 158145875

About methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate

methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate (PubChem CID 158145875) has the molecular formula C102H131Cl5F6N14O19 and a molecular weight of 2148.50 g/mol. Its IUPAC name is methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
• PubChem CID: 158145875
• Molecular Formula: C102H131Cl5F6N14O19
• Molecular Weight: 2148.50 g/mol
• Exact Mass: 2144.81
• IUPAC Name: methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate
• SMILES: CC[C@@H]1C[C@H](C(=O)NC(=O)OC)c2cc(OC)ccc2N1.CC[C@@H]1C[C@H](NC(=O)OC(C)C)c2cc(C(F)(F)F)ccc2N1.CC[C@@H]1C[C@H](NC(=O)OC)c2c(Cl)cc(Cl)cc2N1.CC[C@H]1C[C@@H](C(=O)NC(=O)OC)c2cc(Cl)ccc2N1.CC[C@H]1C[C@@H](C(=O)NC(=O)OC)c2cc(OC)ccc2N1.CC[C@H]1C[C@@H](NC(=O)OC(C)C)c2cc(C(F)(F)F)ccc2N1.CC[C@H]1C[C@@H](NC(=O)OC)c2c(Cl)cc(Cl)cc2N1
• InChI: InChI=1S/2C16H21F3N2O2.2C15H20N2O4.C14H17ClN2O3.2C13H16Cl2N2O2/c2*1-4-11-8-14(21-15(22)23-9(2)3)12-7-10(16(17,18)19)5-6-13(12)20-11;2*1-4-9-7-12(14(18)17-15(19)21-3)11-8-10(20-2)5-6-13(11)16-9;1-3-9-7-11(13(18)17-14(19)20-2)10-6-8(15)4-5-12(10)16-9;2*1-3-8-6-11(17-13(18)19-2)12-9(15)4-7(14)5-10(12)16-8/h2*5-7,9,11,14,20H,4,8H2,1-3H3,(H,21,22);2*5-6,8-9,12,16H,4,7H2,1-3H3,(H,17,18,19);4-6,9,11,16H,3,7H2,1-2H3,(H,17,18,19);2*4-5,8,11,16H,3,6H2,1-2H3,(H,17,18)/t2*11-,14+;2*9-,12+;9-,11+;2*8-,11+/m1010010/s1
• InChIKey: FUMWLQOEQRYIHZ-GQAUHYAMSA-N
• XLogP: 24.33
• TPSA: 422.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2148.50
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?

The IUPAC name of methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate (CID 158145875) is methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate.

What is the SMILES notation for methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?

The canonical SMILES for methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate is CC[C@@H]1C[C@H](C(=O)NC(=O)OC)c2cc(OC)ccc2N1.CC[C@@H]1C[C@H](NC(=O)OC(C)C)c2cc(C(F)(F)F)ccc2N1.CC[C@@H]1C[C@H](NC(=O)OC)c2c(Cl)cc(Cl)cc2N1.CC[C@H]1C[C@@H](C(=O)NC(=O)OC)c2cc(Cl)ccc2N1.CC[C@H]1C[C@@H](C(=O)NC(=O)OC)c2cc(OC)ccc2N1.CC[C@H]1C[C@@H](NC(=O)OC(C)C)c2cc(C(F)(F)F)ccc2N1.CC[C@H]1C[C@@H](NC(=O)OC)c2c(Cl)cc(Cl)cc2N1.

What is the InChIKey of methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?

The InChIKey is FUMWLQOEQRYIHZ-GQAUHYAMSA-N. The full InChI is InChI=1S/2C16H21F3N2O2.2C15H20N2O4.C14H17ClN2O3.2C13H16Cl2N2O2/c2*1-4-11-8-14(21-15(22)23-9(2)3)12-7-10(16(17,18)19)5-6-13(12)20-11;2*1-4-9-7-12(14(18)17-15(19)21-3)11-8-10(20-2)5-6-13(11)16-9;1-3-9-7-11(13(18)17-14(19)20-2)10-6-8(15)4-5-12(10)16-9;2*1-3-8-6-11(17-13(18)19-2)12-9(15)4-7(14)5-10(12)16-8/h2*5-7,9,11,14,20H,4,8H2,1-3H3,(H,21,22);2*5-6,8-9,12,16H,4,7H2,1-3H3,(H,17,18,19);4-6,9,11,16H,3,7H2,1-2H3,(H,17,18,19);2*4-5,8,11,16H,3,6H2,1-2H3,(H,17,18)/t2*11-,14+;2*9-,12+;9-,11+;2*8-,11+/m1010010/s1.

What are the key properties of methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate?

methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate has a molecular weight of 2148.50 g/mol, XLogP of 24.33, 18 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[(2S,4R)-6-chloro-2-ethyl-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2R,4S)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2S,4R)-5,7-dichloro-2-ethyl-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;methyl N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;methyl N-[(2S,4R)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline-4-carbonyl]carbamate;propan-2-yl N-[(2R,4S)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate;propan-2-yl N-[(2S,4R)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]carbamate is sourced from PubChem (CID 158145875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).