3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide

C18H23N3O4S — CID 113138058

IUPAC3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc2cccnc12)CC1CCCO1
InChIInChI=1S/C18H23N3O4S/c1-26(23,24)21(13-15-7-4-12-25-15)11-9-17(22)20-16-8-2-5-14-6-3-10-19-18(14)16/h2-3,5-6,8,10,15H,4,7,9,11-13H2,1H3,(H,20,22)
InChIKeyQIJLAGJJCGCQFV-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.00
Rot. Bonds7

About 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide

3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide (PubChem CID 113138058) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide
PubChem CID113138058
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc2cccnc12)CC1CCCO1
InChIInChI=1S/C18H23N3O4S/c1-26(23,24)21(13-15-7-4-12-25-15)11-9-17(22)20-16-8-2-5-14-6-3-10-19-18(14)16/h2-3,5-6,8,10,15H,4,7,9,11-13H2,1H3,(H,20,22)
InChIKeyQIJLAGJJCGCQFV-UHFFFAOYSA-N
XLogP2.00
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137961
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
3-(3-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylpropanamide
CID 113141855
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
N-(3-methylphenyl)-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149674
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-quinolin-8-ylacetamide
CID 113151061
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(quinolin-8-ylmethyl)urea
CID 97099557
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
CID 113121709
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide?
The IUPAC name of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide (CID 113138058) is 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide.
What is the SMILES notation for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide?
The canonical SMILES for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide is CS(=O)(=O)N(CCC(=O)Nc1cccc2cccnc12)CC1CCCO1.
What is the InChIKey of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide?
The InChIKey is QIJLAGJJCGCQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-26(23,24)21(13-15-7-4-12-25-15)11-9-17(22)20-16-8-2-5-14-6-3-10-19-18(14)16/h2-3,5-6,8,10,15H,4,7,9,11-13H2,1H3,(H,20,22).
What are the key properties of 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide?
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-quinolin-8-ylpropanamide is sourced from PubChem (CID 113138058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).