N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

C21H24N4O4 — CID 51369407

IUPACN-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)NCC3CCCO3)c3ccccc23)n1
InChIInChI=1S/C21H24N4O4/c1-13(2)20-23-21(29-24-20)16-10-19(27)25(17-8-4-3-7-15(16)17)12-18(26)22-11-14-6-5-9-28-14/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,26)
InChIKeyMRMQJHNVNSZALQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.47
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide

N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (PubChem CID 51369407) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
PubChem CID51369407
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
SMILESCC(C)c1noc(-c2cc(=O)n(CC(=O)NCC3CCCO3)c3ccccc23)n1
InChIInChI=1S/C21H24N4O4/c1-13(2)20-23-21(29-24-20)16-10-19(27)25(17-8-4-3-7-15(16)17)12-18(26)22-11-14-6-5-9-28-14/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,26)
InChIKeyMRMQJHNVNSZALQ-UHFFFAOYSA-N
XLogP2.47
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide 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

N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767
2-(3-cyano-2-methylindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 668670
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 51369471
2-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 51695550
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
2-methyl-N-[1-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029816
N-[(2-methoxyphenyl)methyl]-2-[2-oxo-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369555
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884
3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide (CID 51369407) is N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is CC(C)c1noc(-c2cc(=O)n(CC(=O)NCC3CCCO3)c3ccccc23)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
The InChIKey is MRMQJHNVNSZALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(2)20-23-21(29-24-20)16-10-19(27)25(17-8-4-3-7-15(16)17)12-18(26)22-11-14-6-5-9-28-14/h3-4,7-8,10,13-14H,5-6,9,11-12H2,1-2H3,(H,22,26).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide?
N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide is sourced from PubChem (CID 51369407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).