1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one

C18H15F2N5O2 — CID 58502072

IUPAC1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one
SMILESCC1CCc2ccccc2N1C(=O)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C18H15F2N5O2/c1-11-9-10-12-5-2-3-8-15(12)23(11)17(26)25-18(27)24(21-22-25)16-13(19)6-4-7-14(16)20/h2-8,11H,9-10H2,1H3
InChIKeyKTWGFFQPTNNJIL-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.52
Rot. Bonds1

About 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one

1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one (PubChem CID 58502072) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one
PubChem CID58502072
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one
SMILESCC1CCc2ccccc2N1C(=O)n1nnn(-c2c(F)cccc2F)c1=O
InChIInChI=1S/C18H15F2N5O2/c1-11-9-10-12-5-2-3-8-15(12)23(11)17(26)25-18(27)24(21-22-25)16-13(19)6-4-7-14(16)20/h2-8,11H,9-10H2,1H3
InChIKeyKTWGFFQPTNNJIL-UHFFFAOYSA-N
XLogP2.52
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one?
The IUPAC name of 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one (CID 58502072) is 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one is CC1CCc2ccccc2N1C(=O)n1nnn(-c2c(F)cccc2F)c1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one?
The InChIKey is KTWGFFQPTNNJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-11-9-10-12-5-2-3-8-15(12)23(11)17(26)25-18(27)24(21-22-25)16-13(19)6-4-7-14(16)20/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one?
1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one has a molecular weight of 371.35 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-(2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)tetrazol-5-one is sourced from PubChem (CID 58502072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).