6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

C22H23F2N5O — CID 118589109

IUPAC6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(F)(F)CC3)CCOCC1
InChIInChI=1S/C22H23F2N5O/c1-21(9-11-30-12-10-21)19-18(20-26-28-29-27-20)17(14-5-3-2-4-6-14)15-13-22(23,24)8-7-16(15)25-19/h2-6H,7-13H2,1H3,(H,26,27,28,29)
InChIKeyZMYQHMVWKRLPRD-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.12
Rot. Bonds3

About 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline

6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (PubChem CID 118589109) has the molecular formula C22H23F2N5O and a molecular weight of 411.46 g/mol. Its IUPAC name is 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.

Molecular Properties

Compound Name6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
PubChem CID118589109
Molecular FormulaC22H23F2N5O
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(F)(F)CC3)CCOCC1
InChIInChI=1S/C22H23F2N5O/c1-21(9-11-30-12-10-21)19-18(20-26-28-29-27-20)17(14-5-3-2-4-6-14)15-13-22(23,24)8-7-16(15)25-19/h2-6H,7-13H2,1H3,(H,26,27,28,29)
InChIKeyZMYQHMVWKRLPRD-UHFFFAOYSA-N
XLogP4.12
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The IUPAC name of 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline (CID 118589109) is 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline.
What is the SMILES notation for 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The canonical SMILES for 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is CC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CC(F)(F)CC3)CCOCC1.
What is the InChIKey of 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
The InChIKey is ZMYQHMVWKRLPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O/c1-21(9-11-30-12-10-21)19-18(20-26-28-29-27-20)17(14-5-3-2-4-6-14)15-13-22(23,24)8-7-16(15)25-19/h2-6H,7-13H2,1H3,(H,26,27,28,29).
What are the key properties of 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline?
6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline has a molecular weight of 411.46 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline is sourced from PubChem (CID 118589109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).