4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one

C26H29N5O3S — CID 143650491

IUPAC4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCCc1ccc(COc2ccc(C(N)=O)cc2)c2cccnc12.CN1CC[C@@H](c2n[nH]c(=O)s2)C1
InChIInChI=1S/C19H18N2O2.C7H11N3OS/c1-2-13-5-6-15(17-4-3-11-21-18(13)17)12-23-16-9-7-14(8-10-16)19(20)22;1-10-3-2-5(4-10)6-8-9-7(11)12-6/h3-11H,2,12H2,1H3,(H2,20,22);5H,2-4H2,1H3,(H,9,11)/t;5-/m.1/s1
InChIKeyPCYHSRMELIDSLZ-QDXATWJZSA-N
MW491.62 g/mol
LogP3.73
Rot. Bonds6

About 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one

4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one (PubChem CID 143650491) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
PubChem CID143650491
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCCc1ccc(COc2ccc(C(N)=O)cc2)c2cccnc12.CN1CC[C@@H](c2n[nH]c(=O)s2)C1
InChIInChI=1S/C19H18N2O2.C7H11N3OS/c1-2-13-5-6-15(17-4-3-11-21-18(13)17)12-23-16-9-7-14(8-10-16)19(20)22;1-10-3-2-5(4-10)6-8-9-7(11)12-6/h3-11H,2,12H2,1H3,(H2,20,22);5H,2-4H2,1H3,(H,9,11)/t;5-/m.1/s1
InChIKeyPCYHSRMELIDSLZ-QDXATWJZSA-N
XLogP3.73
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one 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

4-[[2-methyl-6-(3-methylphenyl)-4-pyridinyl]methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one
CID 143650508
N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650486
N-[1-benzoyl-3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650481
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607
4-[(2-benzyl-4-ethyl-1,3-thiazol-5-yl)methoxy]-N-[[(3R,4R)-1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
CID 143651183
tert-butyl N-[4-[[4-[[(3S,4S)-1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamoyl]phenoxy]methyl]quinolin-2-yl]carbamate
CID 143650872
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
8-[(4-iodophenoxy)methyl]quinolin-5-amine
CID 43376888
2-[(4-fluorophenoxy)methyl]-5-(1-methylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615590
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
CID 136515317
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869

Frequently Asked Questions

What is the IUPAC name of 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one (CID 143650491) is 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one is CCc1ccc(COc2ccc(C(N)=O)cc2)c2cccnc12.CN1CC[C@@H](c2n[nH]c(=O)s2)C1.
What is the InChIKey of 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
The InChIKey is PCYHSRMELIDSLZ-QDXATWJZSA-N. The full InChI is InChI=1S/C19H18N2O2.C7H11N3OS/c1-2-13-5-6-15(17-4-3-11-21-18(13)17)12-23-16-9-7-14(8-10-16)19(20)22;1-10-3-2-5(4-10)6-8-9-7(11)12-6/h3-11H,2,12H2,1H3,(H2,20,22);5H,2-4H2,1H3,(H,9,11)/t;5-/m.1/s1.
What are the key properties of 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one?
4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one has a molecular weight of 491.62 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-ethylquinolin-5-yl)methoxy]benzamide;5-[(3R)-1-methylpyrrolidin-3-yl]-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 143650491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).