methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate

C26H28N2O4 — CID 67719075

IUPACmethyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(=O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C26H28N2O4/c1-28(26(30)31-2)25(29)24(19-8-3-4-9-19)20-12-15-22(16-13-20)32-17-21-14-11-18-7-5-6-10-23(18)27-21/h5-7,10-16,19,24H,3-4,8-9,17H2,1-2H3
InChIKeyPAAPUVMUCUGHKU-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.31
Rot. Bonds6

About methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate

methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate (PubChem CID 67719075) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate
PubChem CID67719075
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Namemethyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C(=O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C26H28N2O4/c1-28(26(30)31-2)25(29)24(19-8-3-4-9-19)20-12-15-22(16-13-20)32-17-21-14-11-18-7-5-6-10-23(18)27-21/h5-7,10-16,19,24H,3-4,8-9,17H2,1-2H3
InChIKeyPAAPUVMUCUGHKU-UHFFFAOYSA-N
XLogP5.31
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113
2-cycloheptyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 19737370
2-[3-(methanesulfonamido)cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 67704199
acetyl-aminooxy-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]-hydroxyazanium
CID 173332529
methyl 2-[3-[(4-methylphenyl)sulfonylamino]cyclopentyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 67704197
2-[2-cycloheptyl-2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]oxaziridine-3-carboxylic acid
CID 54320479
(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
CID 10765188
2-cycloheptyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 15234441
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
O-[2-cyclohexyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 10619562
2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methyl]oxaziridine-3-carbaldehyde
CID 57218822
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate (CID 67719075) is methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate is COC(=O)N(C)C(=O)C(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1.
What is the InChIKey of methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate?
The InChIKey is PAAPUVMUCUGHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-28(26(30)31-2)25(29)24(19-8-3-4-9-19)20-12-15-22(16-13-20)32-17-21-14-11-18-7-5-6-10-23(18)27-21/h5-7,10-16,19,24H,3-4,8-9,17H2,1-2H3.
What are the key properties of methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate?
methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate has a molecular weight of 432.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]-N-methylcarbamate is sourced from PubChem (CID 67719075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).