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

C17H15FN5O2P — CID 126499005

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one
SMILESO=C(N1CCCc2ccccc21)n1nnn(-c2c(F)cccc2P)c1=O
InChIInChI=1S/C17H15FN5O2P/c18-12-7-3-9-14(26)15(12)22-17(25)23(20-19-22)16(24)21-10-4-6-11-5-1-2-8-13(11)21/h1-3,5,7-9H,4,6,10,26H2
InChIKeyZKSLZEUBNRGNJO-UHFFFAOYSA-N
MW371.31 g/mol
LogP1.49
Rot. Bonds1

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

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one (PubChem CID 126499005) has the molecular formula C17H15FN5O2P and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one
PubChem CID126499005
Molecular FormulaC17H15FN5O2P
Molecular Weight371.31 g/mol
Exact Mass371.09
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one
SMILESO=C(N1CCCc2ccccc21)n1nnn(-c2c(F)cccc2P)c1=O
InChIInChI=1S/C17H15FN5O2P/c18-12-7-3-9-14(26)15(12)22-17(25)23(20-19-22)16(24)21-10-4-6-11-5-1-2-8-13(11)21/h1-3,5,7-9H,4,6,10,26H2
InChIKeyZKSLZEUBNRGNJO-UHFFFAOYSA-N
XLogP1.49
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-3,4-dihydro-2H-quinoline-2-carboxylate
CID 70668206
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 110744007
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 108977368
[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
[4-(2,6-difluoroanilino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109219687
1-(2,3-dihydroindole-1-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 146083168

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one (CID 126499005) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one is O=C(N1CCCc2ccccc21)n1nnn(-c2c(F)cccc2P)c1=O.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one?
The InChIKey is ZKSLZEUBNRGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN5O2P/c18-12-7-3-9-14(26)15(12)22-17(25)23(20-19-22)16(24)21-10-4-6-11-5-1-2-8-13(11)21/h1-3,5,7-9H,4,6,10,26H2.
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one has a molecular weight of 371.31 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-(2-fluoro-6-phosphanylphenyl)tetrazol-5-one is sourced from PubChem (CID 126499005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).