4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline

C23H29N9O — CID 1457089

IUPAC4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
SMILESCOc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCCC3)c3nnnn3c2c1
InChIInChI=1S/C23H29N9O/c1-33-18-11-10-16-14-19(22-24-26-29-32(22)20(16)15-18)21(30-12-6-2-3-7-13-30)23-25-27-28-31(23)17-8-4-5-9-17/h10-11,14-15,17,21H,2-9,12-13H2,1H3/t21-/m0/s1
InChIKeyVOYWJDXDEQDPDG-NRFANRHFSA-N
MW447.55 g/mol
LogP3.35
Rot. Bonds5

About 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline

4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline (PubChem CID 1457089) has the molecular formula C23H29N9O and a molecular weight of 447.55 g/mol. Its IUPAC name is 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
PubChem CID1457089
Molecular FormulaC23H29N9O
Molecular Weight447.55 g/mol
Exact Mass447.25
IUPAC Name4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
SMILESCOc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCCC3)c3nnnn3c2c1
InChIInChI=1S/C23H29N9O/c1-33-18-11-10-16-14-19(22-24-26-29-32(22)20(16)15-18)21(30-12-6-2-3-7-13-30)23-25-27-28-31(23)17-8-4-5-9-17/h10-11,14-15,17,21H,2-9,12-13H2,1H3/t21-/m0/s1
InChIKeyVOYWJDXDEQDPDG-NRFANRHFSA-N
XLogP3.35
TPSA99.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline with MolForge

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Related Compounds

4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 5017809
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-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline?
The IUPAC name of 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline (CID 1457089) is 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline.
What is the SMILES notation for 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline?
The canonical SMILES for 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline is COc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CCCCCC3)c3nnnn3c2c1.
What is the InChIKey of 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline?
The InChIKey is VOYWJDXDEQDPDG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N9O/c1-33-18-11-10-16-14-19(22-24-26-29-32(22)20(16)15-18)21(30-12-6-2-3-7-13-30)23-25-27-28-31(23)17-8-4-5-9-17/h10-11,14-15,17,21H,2-9,12-13H2,1H3/t21-/m0/s1.
What are the key properties of 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline?
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline has a molecular weight of 447.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline is sourced from PubChem (CID 1457089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).