2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

C21H26N2O3 — CID 99784803

IUPAC2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CC[C@H](C)c3cccc(OC)c32)cc1
InChIInChI=1S/C21H26N2O3/c1-15-11-12-23(21-18(15)5-4-6-19(21)26-3)14-20(24)22-13-16-7-9-17(25-2)10-8-16/h4-10,15H,11-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyKCZKFZIVDVTASI-HNNXBMFYSA-N
MW354.45 g/mol
LogP3.33
Rot. Bonds6

About 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 99784803) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID99784803
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CC[C@H](C)c3cccc(OC)c32)cc1
InChIInChI=1S/C21H26N2O3/c1-15-11-12-23(21-18(15)5-4-6-19(21)26-3)14-20(24)22-13-16-7-9-17(25-2)10-8-16/h4-10,15H,11-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyKCZKFZIVDVTASI-HNNXBMFYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 99784803) is 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2CC[C@H](C)c3cccc(OC)c32)cc1.
What is the InChIKey of 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is KCZKFZIVDVTASI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-11-12-23(21-18(15)5-4-6-19(21)26-3)14-20(24)22-13-16-7-9-17(25-2)10-8-16/h4-10,15H,11-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-8-methoxy-4-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 99784803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).