1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline

C16H21N5O — CID 651993

IUPAC1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1nnnn1CC1CCCO1
InChIInChI=1S/C16H21N5O/c1-2-8-15-13(5-1)6-3-9-20(15)12-16-17-18-19-21(16)11-14-7-4-10-22-14/h1-2,5,8,14H,3-4,6-7,9-12H2
InChIKeyGDAOZHYKGUJZPM-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.80
Rot. Bonds4

About 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline

1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline (PubChem CID 651993) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
PubChem CID651993
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline
SMILESc1ccc2c(c1)CCCN2Cc1nnnn1CC1CCCO1
InChIInChI=1S/C16H21N5O/c1-2-8-15-13(5-1)6-3-9-20(15)12-16-17-18-19-21(16)11-14-7-4-10-22-14/h1-2,5,8,14H,3-4,6-7,9-12H2
InChIKeyGDAOZHYKGUJZPM-UHFFFAOYSA-N
XLogP1.80
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 646624
1-(2,3-Dimethyl-phenyl)-4-{phenyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazine
CID 647989
4-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-pyrrolidin-1-yl-phenyl)-methyl]-morpholine
CID 648818
1-(5-Chloro-2-methyl-phenyl)-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 649905
1-(2,3-Dimethyl-phenyl)-4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6603075
1-(5-Chloro-2-methyl-phenyl)-4-{1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6603099
1-(1-Phenethyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 6603629
Piperazine, 1-phenyl-4-[1-[1-[(tetrahydro-2-furanyl)methyl]-1H-tetrazol-5-yl]pentyl]-, hydrochloride (1:1)
CID 16192973
1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydro-quinoline
CID 644687
(4-{(4-Benzyl-piperazin-1-yl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 648702
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
CID 651401
{(4-Fluoro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-methyl-phenyl-amine
CID 6602680

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline (CID 651993) is 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline is c1ccc2c(c1)CCCN2Cc1nnnn1CC1CCCO1.
What is the InChIKey of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is GDAOZHYKGUJZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-8-15-13(5-1)6-3-9-20(15)12-16-17-18-19-21(16)11-14-7-4-10-22-14/h1-2,5,8,14H,3-4,6-7,9-12H2.
What are the key properties of 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline?
1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 299.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 651993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).