6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline

C21H29N7 — CID 43811824

IUPAC6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline
SMILESCCN1CCN(C(c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C21H29N7/c1-5-26-11-13-27(14-12-26)19(20-23-24-25-28(20)21(2,3)4)17-8-9-18-16(15-17)7-6-10-22-18/h6-10,15,19H,5,11-14H2,1-4H3
InChIKeyJDQZGOHVRIZVOS-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.70
Rot. Bonds4

About 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline

6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline (PubChem CID 43811824) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline
PubChem CID43811824
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline
SMILESCCN1CCN(C(c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C21H29N7/c1-5-26-11-13-27(14-12-26)19(20-23-24-25-28(20)21(2,3)4)17-8-9-18-16(15-17)7-6-10-22-18/h6-10,15,19H,5,11-14H2,1-4H3
InChIKeyJDQZGOHVRIZVOS-UHFFFAOYSA-N
XLogP2.70
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]quinoline
CID 3193630
6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline
CID 1438518
1-[(1-tert-butyltetrazol-5-yl)-(2-chlorophenyl)methyl]-4-ethylpiperazine
CID 3209015
6-[(R)-(1-cyclohexyltetrazol-5-yl)-piperidin-1-ylmethyl]quinoline
CID 1432393
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 3208984
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171700127
1-[(S)-(1-tert-butyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-prop-2-enylpiperazine
CID 1444099
3-[(R)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ylmethyl]pyridine
CID 1492586
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
furan-2-yl-[4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]methanone
CID 25413074
2-[4-[[1-(2-phenylethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]-1,3-benzothiazole
CID 3213492

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline?
The IUPAC name of 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline (CID 43811824) is 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline is CCN1CCN(C(c2ccc3ncccc3c2)c2nnnn2C(C)(C)C)CC1.
What is the InChIKey of 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline?
The InChIKey is JDQZGOHVRIZVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-5-26-11-13-27(14-12-26)19(20-23-24-25-28(20)21(2,3)4)17-8-9-18-16(15-17)7-6-10-22-18/h6-10,15,19H,5,11-14H2,1-4H3.
What are the key properties of 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline?
6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline has a molecular weight of 379.51 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butyltetrazol-5-yl)-(4-ethylpiperazin-1-yl)methyl]quinoline is sourced from PubChem (CID 43811824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).