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

C22H25N5O — CID 118589255

IUPAC2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCC3)CCOCC1
InChIInChI=1S/C22H25N5O/c1-22(11-13-28-14-12-22)20-19(21-24-26-27-25-21)18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23-20/h2-4,7-8H,5-6,9-14H2,1H3,(H,24,25,26,27)
InChIKeyXKAODCUFDQKAKV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.88
Rot. Bonds3

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

2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (PubChem CID 118589255) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
PubChem CID118589255
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
SMILESCC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCC3)CCOCC1
InChIInChI=1S/C22H25N5O/c1-22(11-13-28-14-12-22)20-19(21-24-26-27-25-21)18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23-20/h2-4,7-8H,5-6,9-14H2,1H3,(H,24,25,26,27)
InChIKeyXKAODCUFDQKAKV-UHFFFAOYSA-N
XLogP3.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 118589084
(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine
CID 168300838
(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine
CID 168300874
(3P)-2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine
CID 168300888
(6S)-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 170855702
7-fluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)quinoline
CID 164517401
4-(4-fluorophenyl)-2-[1-(methoxymethyl)cyclopentyl]-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90042667
6,6-difluoro-2-[1-(methoxymethyl)cyclopentyl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589088
6,6-difluoro-2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589109
6,6-difluoro-2-[1-(methoxymethyl)cyclohexyl]-4-phenyl-3-(2H-tetrazol-5-yl)-7,8-dihydro-5H-quinoline
CID 118589189
2-(oxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73294767
2-(oxolan-3-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 73297188

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline (CID 118589255) is 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is CC1(c2nc3c(c(-c4ccccc4)c2-c2nn[nH]n2)CCCC3)CCOCC1.
What is the InChIKey of 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is XKAODCUFDQKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(11-13-28-14-12-22)20-19(21-24-26-27-25-21)18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)23-20/h2-4,7-8H,5-6,9-14H2,1H3,(H,24,25,26,27).
What are the key properties of 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline?
2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 375.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyloxan-4-yl)-4-phenyl-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 118589255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).