methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate

C25H28N2O3 — CID 112791596

IUPACmethyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)C(=O)OC
InChIInChI=1S/C25H28N2O3/c1-5-16(2)24(25(29)30-4)27-22(28)15-20-17(3)26-21-14-10-9-13-19(21)23(20)18-11-7-6-8-12-18/h6-14,16,24H,5,15H2,1-4H3,(H,27,28)
InChIKeyQMZMVHRLDDILKC-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.46
Rot. Bonds7

About methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate

methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate (PubChem CID 112791596) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
PubChem CID112791596
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namemethyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)C(=O)OC
InChIInChI=1S/C25H28N2O3/c1-5-16(2)24(25(29)30-4)27-22(28)15-20-17(3)26-21-14-10-9-13-19(21)23(20)18-11-7-6-8-12-18/h6-14,16,24H,5,15H2,1-4H3,(H,27,28)
InChIKeyQMZMVHRLDDILKC-UHFFFAOYSA-N
XLogP4.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate with MolForge

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Related Compounds

2-(2-methyl-4-phenylquinolin-3-yl)-N-propan-2-ylacetamide
CID 112759088
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
methyl 2-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate
CID 112822200
N-(2-ethoxyphenyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 112790890
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 25496428
N-butan-2-yl-3-[[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]methyl]benzamide
CID 112835490
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
N-(3-hydroxypropyl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110878183
N-butan-2-yl-2-[4-[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]piperazin-1-yl]acetamide
CID 112814409
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 18229343
3-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]propyl propan-2-yl phosphate
CID 154030021
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate (CID 112791596) is methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate is CCC(C)C(NC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate?
The InChIKey is QMZMVHRLDDILKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-5-16(2)24(25(29)30-4)27-22(28)15-20-17(3)26-21-14-10-9-13-19(21)23(20)18-11-7-6-8-12-18/h6-14,16,24H,5,15H2,1-4H3,(H,27,28).
What are the key properties of methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate?
methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate has a molecular weight of 404.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-(2-methyl-4-phenylquinolin-3-yl)acetyl]amino]pentanoate is sourced from PubChem (CID 112791596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).