3-(7-propan-2-ylsulfonylheptyl)quinoline

C19H27NO2S — CID 158614787

IUPAC3-(7-propan-2-ylsulfonylheptyl)quinoline
SMILESCC(C)S(=O)(=O)CCCCCCCc1cnc2ccccc2c1
InChIInChI=1S/C19H27NO2S/c1-16(2)23(21,22)13-9-5-3-4-6-10-17-14-18-11-7-8-12-19(18)20-15-17/h7-8,11-12,14-16H,3-6,9-10,13H2,1-2H3
InChIKeyUDIWPGBCAVVFJQ-UHFFFAOYSA-N
MW333.50 g/mol
LogP4.55
Rot. Bonds9

About 3-(7-propan-2-ylsulfonylheptyl)quinoline

3-(7-propan-2-ylsulfonylheptyl)quinoline (PubChem CID 158614787) has the molecular formula C19H27NO2S and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-(7-propan-2-ylsulfonylheptyl)quinoline.

Molecular Properties

Compound Name3-(7-propan-2-ylsulfonylheptyl)quinoline
PubChem CID158614787
Molecular FormulaC19H27NO2S
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name3-(7-propan-2-ylsulfonylheptyl)quinoline
SMILESCC(C)S(=O)(=O)CCCCCCCc1cnc2ccccc2c1
InChIInChI=1S/C19H27NO2S/c1-16(2)23(21,22)13-9-5-3-4-6-10-17-14-18-11-7-8-12-19(18)20-15-17/h7-8,11-12,14-16H,3-6,9-10,13H2,1-2H3
InChIKeyUDIWPGBCAVVFJQ-UHFFFAOYSA-N
XLogP4.55
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(7-propan-2-ylsulfonylheptyl)quinoline 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

2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614788
3-(4-phenylpentyl)quinoline
CID 158257527
3-(3-chloro-4-methylpentyl)quinoline
CID 64508881
3-(2-methylpropyl)quinoline
CID 12072851
3-(3-ethoxypropyl)quinoline
CID 91801315
6-methoxyhexyl-methylidene-oxo-(quinolin-3-ylmethyl)-λ6-sulfane
CID 142246181
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
2-quinolin-3-ylethanol
CID 53403774
1-phenyl-11-propan-2-ylsulfonylundecan-6-one
CID 58144246
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
2-methyl-N-(2-quinolin-3-ylethyl)propan-1-amine
CID 62603664
3-(3,3-dimethylbutyl)quinoline
CID 58808300

Frequently Asked Questions

What is the IUPAC name of 3-(7-propan-2-ylsulfonylheptyl)quinoline?
The IUPAC name of 3-(7-propan-2-ylsulfonylheptyl)quinoline (CID 158614787) is 3-(7-propan-2-ylsulfonylheptyl)quinoline.
What is the SMILES notation for 3-(7-propan-2-ylsulfonylheptyl)quinoline?
The canonical SMILES for 3-(7-propan-2-ylsulfonylheptyl)quinoline is CC(C)S(=O)(=O)CCCCCCCc1cnc2ccccc2c1.
What is the InChIKey of 3-(7-propan-2-ylsulfonylheptyl)quinoline?
The InChIKey is UDIWPGBCAVVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2S/c1-16(2)23(21,22)13-9-5-3-4-6-10-17-14-18-11-7-8-12-19(18)20-15-17/h7-8,11-12,14-16H,3-6,9-10,13H2,1-2H3.
What are the key properties of 3-(7-propan-2-ylsulfonylheptyl)quinoline?
3-(7-propan-2-ylsulfonylheptyl)quinoline has a molecular weight of 333.50 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-propan-2-ylsulfonylheptyl)quinoline is sourced from PubChem (CID 158614787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).