6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

C18H18FN5O2S — CID 24792433

IUPAC6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)ccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2S/c1-12-9-16(6-8-17(12)23-11-20-21-22-23)27(25,26)24-13(2)3-4-14-10-15(19)5-7-18(14)24/h5-11,13H,3-4H2,1-2H3
InChIKeyYUTRMINDDBKVFZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.64
Rot. Bonds3

About 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline

6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 24792433) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID24792433
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)ccc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2S/c1-12-9-16(6-8-17(12)23-11-20-21-22-23)27(25,26)24-13(2)3-4-14-10-15(19)5-7-18(14)24/h5-11,13H,3-4H2,1-2H3
InChIKeyYUTRMINDDBKVFZ-UHFFFAOYSA-N
XLogP2.64
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline (CID 24792433) is 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is Cc1cc(S(=O)(=O)N2c3ccc(F)cc3CCC2C)ccc1-n1cnnn1.
What is the InChIKey of 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YUTRMINDDBKVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c1-12-9-16(6-8-17(12)23-11-20-21-22-23)27(25,26)24-13(2)3-4-14-10-15(19)5-7-18(14)24/h5-11,13H,3-4H2,1-2H3.
What are the key properties of 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline?
6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 387.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 24792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).