1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline

C20H29N5 — CID 3173822

IUPAC1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCCc2ccccc21
InChIInChI=1S/C20H29N5/c1-15(2)19(24-14-8-10-16-9-6-7-13-18(16)24)20-21-22-23-25(20)17-11-4-3-5-12-17/h6-7,9,13,15,17,19H,3-5,8,10-12,14H2,1-2H3
InChIKeyXSIJQKATWPKMEU-UHFFFAOYSA-N
MW339.49 g/mol
LogP4.33
Rot. Bonds4

About 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline

1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (PubChem CID 3173822) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
PubChem CID3173822
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCCc2ccccc21
InChIInChI=1S/C20H29N5/c1-15(2)19(24-14-8-10-16-9-6-7-13-18(16)24)20-21-22-23-25(20)17-11-4-3-5-12-17/h6-7,9,13,15,17,19H,3-5,8,10-12,14H2,1-2H3
InChIKeyXSIJQKATWPKMEU-UHFFFAOYSA-N
XLogP4.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

Dapiprazole
CID 3033538
1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazin-1-yl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159636
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 2998993
1-[[1-(3-Methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 1448648
1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
Batelapine
CID 60717
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
3-{[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-benzonitrile
CID 646213
1-[1-(1-Cyclopentyl-5-tetrazolyl)-2-methylpropyl]-4-(2-fluorophenyl)piperazine
CID 647539
2-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-2-methyl-propyl]-1,2,3,4-tetrahydro-isoquinoline
CID 647670
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-propyl]-4-phenyl-piperazine
CID 647993
1-(5-Chloro-2-methyl-phenyl)-4-(1-cyclohexyl-1H-tetrazol-5-ylmethyl)-piperazine
CID 649196

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline (CID 3173822) is 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is CC(C)C(c1nnnn1C1CCCCC1)N1CCCc2ccccc21.
What is the InChIKey of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
The InChIKey is XSIJQKATWPKMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-15(2)19(24-14-8-10-16-9-6-7-13-18(16)24)20-21-22-23-25(20)17-11-4-3-5-12-17/h6-7,9,13,15,17,19H,3-5,8,10-12,14H2,1-2H3.
What are the key properties of 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline?
1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline has a molecular weight of 339.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 3173822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).