N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide

C15H18N2O5S — CID 87986689

IUPACN-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide
SMILESCOCCC(N(O)C=O)S(=O)(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O5S/c1-22-7-6-15(17(19)11-18)23(20,21)10-12-8-13-4-2-3-5-14(13)16-9-12/h2-5,8-9,11,15,19H,6-7,10H2,1H3
InChIKeyCBBQXLXVIMRGRS-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.36
Rot. Bonds8

About N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide

N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide (PubChem CID 87986689) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide
PubChem CID87986689
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC NameN-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide
SMILESCOCCC(N(O)C=O)S(=O)(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C15H18N2O5S/c1-22-7-6-15(17(19)11-18)23(20,21)10-12-8-13-4-2-3-5-14(13)16-9-12/h2-5,8-9,11,15,19H,6-7,10H2,1H3
InChIKeyCBBQXLXVIMRGRS-UHFFFAOYSA-N
XLogP1.36
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide 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-hydroxy-N-[(2S)-3-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]formamide;N-[3-methyl-1-(quinolin-3-ylmethylsulfonyl)butan-2-yl]hydroxylamine
CID 86591025
6-methoxyhexyl-methylidene-oxo-(quinolin-3-ylmethyl)-λ6-sulfane
CID 142246181
hydroxylamine;3-[[(3R)-3-methoxybutyl]sulfonylmethyl]quinoline
CID 142246156
quinolin-3-ylmethyl acetate
CID 101032812
methyl 3-(quinolin-3-ylmethylamino)propanoate
CID 114203484
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742
3-(diethoxyphosphorylmethyl)quinoline
CID 87383457
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-(quinolin-3-ylmethyl)ethanamine
CID 16640553
quinoline-3-carbaldehyde;quinolin-3-ylmethanol
CID 87606996
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide?
The IUPAC name of N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide (CID 87986689) is N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide.
What is the SMILES notation for N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide?
The canonical SMILES for N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide is COCCC(N(O)C=O)S(=O)(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide?
The InChIKey is CBBQXLXVIMRGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-22-7-6-15(17(19)11-18)23(20,21)10-12-8-13-4-2-3-5-14(13)16-9-12/h2-5,8-9,11,15,19H,6-7,10H2,1H3.
What are the key properties of N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide?
N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide has a molecular weight of 338.38 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[3-methoxy-1-(quinolin-3-ylmethylsulfonyl)propyl]formamide is sourced from PubChem (CID 87986689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).