3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C20H22N4O4 — CID 136823230

IUPAC3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc2cc(-c3noc(CCC(=O)NC[C@H]4CCCO4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C20H22N4O4/c1-12-4-5-13-10-15(20(26)22-16(13)9-12)19-23-18(28-24-19)7-6-17(25)21-11-14-3-2-8-27-14/h4-5,9-10,14H,2-3,6-8,11H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1
InChIKeyLTQOWWCLWZHDPW-CQSZACIVSA-N
MW382.42 g/mol
LogP2.11
Rot. Bonds6

About 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 136823230) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID136823230
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc2cc(-c3noc(CCC(=O)NC[C@H]4CCCO4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C20H22N4O4/c1-12-4-5-13-10-15(20(26)22-16(13)9-12)19-23-18(28-24-19)7-6-17(25)21-11-14-3-2-8-27-14/h4-5,9-10,14H,2-3,6-8,11H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1
InChIKeyLTQOWWCLWZHDPW-CQSZACIVSA-N
XLogP2.11
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 135970389
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 2227018
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 136823232
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)butanamide
CID 135896811
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 136777354
3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 94081166
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970382
4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 136825358
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913

Frequently Asked Questions

What is the IUPAC name of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 136823230) is 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is Cc1ccc2cc(-c3noc(CCC(=O)NC[C@H]4CCCO4)n3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is LTQOWWCLWZHDPW-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-4-5-13-10-15(20(26)22-16(13)9-12)19-23-18(28-24-19)7-6-17(25)21-11-14-3-2-8-27-14/h4-5,9-10,14H,2-3,6-8,11H2,1H3,(H,21,25)(H,22,26)/t14-/m1/s1.
What are the key properties of 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 136823230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).