4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline

C22H27N9O — CID 5017809

IUPAC4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline
SMILESCOc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c3nnnn3c2c1
InChIInChI=1S/C22H27N9O/c1-32-17-10-9-15-13-18(21-23-25-28-31(21)19(15)14-17)20(29-11-5-2-6-12-29)22-24-26-27-30(22)16-7-3-4-8-16/h9-10,13-14,16,20H,2-8,11-12H2,1H3
InChIKeyZMUCIDKVRPIGTI-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.96
Rot. Bonds5

About 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline

4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline (PubChem CID 5017809) has the molecular formula C22H27N9O and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline
PubChem CID5017809
Molecular FormulaC22H27N9O
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline
SMILESCOc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c3nnnn3c2c1
InChIInChI=1S/C22H27N9O/c1-32-17-10-9-15-13-18(21-23-25-28-31(21)19(15)14-17)20(29-11-5-2-6-12-29)22-24-26-27-30(22)16-7-3-4-8-16/h9-10,13-14,16,20H,2-8,11-12H2,1H3
InChIKeyZMUCIDKVRPIGTI-UHFFFAOYSA-N
XLogP2.96
TPSA99.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline with MolForge

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Related Compounds

4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 1457089
4-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 3214870
3-[(R)-azepan-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1375314
3-[(S)-(1-cyclopentyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-7-methoxy-1H-quinolin-2-one
CID 1375289
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
CID 3201608
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
3-[(S)-2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one
CID 1159913
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
3-[(S)-(1-cyclohexyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1147844
3-[(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-methoxy-1H-quinolin-2-one
CID 3176503

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline?
The IUPAC name of 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline (CID 5017809) is 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline.
What is the SMILES notation for 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline?
The canonical SMILES for 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline is COc1ccc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c3nnnn3c2c1.
What is the InChIKey of 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline?
The InChIKey is ZMUCIDKVRPIGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N9O/c1-32-17-10-9-15-13-18(21-23-25-28-31(21)19(15)14-17)20(29-11-5-2-6-12-29)22-24-26-27-30(22)16-7-3-4-8-16/h9-10,13-14,16,20H,2-8,11-12H2,1H3.
What are the key properties of 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline?
4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline has a molecular weight of 433.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline is sourced from PubChem (CID 5017809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).