6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline

C29H35N7O — CID 3193431

IUPAC6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline
SMILESCOc1ccc(Cn2nnnc2C(c2ccc3ncccc3c2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C29H35N7O/c1-37-26-12-9-22(10-13-26)21-36-29(31-32-33-36)28(24-11-14-27-23(20-24)6-5-15-30-27)35-18-16-34(17-19-35)25-7-3-2-4-8-25/h5-6,9-15,20,25,28H,2-4,7-8,16-19,21H2,1H3
InChIKeyYQZJAAMEMNOIMU-UHFFFAOYSA-N
MW497.65 g/mol
LogP4.32
Rot. Bonds7

About 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline

6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline (PubChem CID 3193431) has the molecular formula C29H35N7O and a molecular weight of 497.65 g/mol. Its IUPAC name is 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline
PubChem CID3193431
Molecular FormulaC29H35N7O
Molecular Weight497.65 g/mol
Exact Mass497.29
IUPAC Name6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline
SMILESCOc1ccc(Cn2nnnc2C(c2ccc3ncccc3c2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C29H35N7O/c1-37-26-12-9-22(10-13-26)21-36-29(31-32-33-36)28(24-11-14-27-23(20-24)6-5-15-30-27)35-18-16-34(17-19-35)25-7-3-2-4-8-25/h5-6,9-15,20,25,28H,2-4,7-8,16-19,21H2,1H3
InChIKeyYQZJAAMEMNOIMU-UHFFFAOYSA-N
XLogP4.32
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.65
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline?
The IUPAC name of 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline (CID 3193431) is 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline.
What is the SMILES notation for 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline?
The canonical SMILES for 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline is COc1ccc(Cn2nnnc2C(c2ccc3ncccc3c2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline?
The InChIKey is YQZJAAMEMNOIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O/c1-37-26-12-9-22(10-13-26)21-36-29(31-32-33-36)28(24-11-14-27-23(20-24)6-5-15-30-27)35-18-16-34(17-19-35)25-7-3-2-4-8-25/h5-6,9-15,20,25,28H,2-4,7-8,16-19,21H2,1H3.
What are the key properties of 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline?
6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline has a molecular weight of 497.65 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline is sourced from PubChem (CID 3193431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).