7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline

C12H14FN5O2S — CID 146149299

IUPAC7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(CCn1cnnn1)N1CCCc2ccc(F)cc21
InChIInChI=1S/C12H14FN5O2S/c13-11-4-3-10-2-1-5-18(12(10)8-11)21(19,20)7-6-17-9-14-15-16-17/h3-4,8-9H,1-2,5-7H2
InChIKeyCFCJOSQWQLJVHL-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.59
Rot. Bonds4

About 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline

7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline (PubChem CID 146149299) has the molecular formula C12H14FN5O2S and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline
PubChem CID146149299
Molecular FormulaC12H14FN5O2S
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline
SMILESO=S(=O)(CCn1cnnn1)N1CCCc2ccc(F)cc21
InChIInChI=1S/C12H14FN5O2S/c13-11-4-3-10-2-1-5-18(12(10)8-11)21(19,20)7-6-17-9-14-15-16-17/h3-4,8-9H,1-2,5-7H2
InChIKeyCFCJOSQWQLJVHL-UHFFFAOYSA-N
XLogP0.59
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-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

6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
1-ethylsulfonyl-7-methoxy-3,4-dihydro-2H-quinoline
CID 110749885
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
2-fluoro-5-[(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 56797641

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline (CID 146149299) is 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline is O=S(=O)(CCn1cnnn1)N1CCCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline?
The InChIKey is CFCJOSQWQLJVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O2S/c13-11-4-3-10-2-1-5-18(12(10)8-11)21(19,20)7-6-17-9-14-15-16-17/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline?
7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline has a molecular weight of 311.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-[2-(tetrazol-1-yl)ethylsulfonyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 146149299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).