3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide

C18H22N2O3 — CID 53174855

IUPAC3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-13-10-14(18(22)20-16(13)9-12)6-7-17(21)19-11-15-3-2-8-23-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZERXAJRDOQLREL-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.06
Rot. Bonds5

About 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 53174855) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID53174855
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCC3CCCO3)c(=O)[nH]c2c1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-13-10-14(18(22)20-16(13)9-12)6-7-17(21)19-11-15-3-2-8-23-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZERXAJRDOQLREL-UHFFFAOYSA-N
XLogP2.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
1-(3-hydroxypropyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(oxolan-2-ylmethyl)thiourea
CID 3169369
1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 1141423
4-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077959
1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[[(2S)-oxolan-2-yl]methyl]thiourea
CID 1374732
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
4-bromo-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25414652
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53174881

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 53174855) is 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc2cc(CCC(=O)NCC3CCCO3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZERXAJRDOQLREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-4-5-13-10-14(18(22)20-16(13)9-12)6-7-17(21)19-11-15-3-2-8-23-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide?
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 314.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 53174855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).