6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine

C24H25N7O — CID 46900608

IUPAC6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1
InChIInChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3
InChIKeySBDOPCIVOPZGMV-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.78
Rot. Bonds4

About 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine (PubChem CID 46900608) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine
PubChem CID46900608
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1
InChIInChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3
InChIKeySBDOPCIVOPZGMV-UHFFFAOYSA-N
XLogP2.78
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine?
The IUPAC name of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine (CID 46900608) is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine.
What is the SMILES notation for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine?
The canonical SMILES for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine is Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nnnn4-5)CC3)cccc2n1.
What is the InChIKey of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine?
The InChIKey is SBDOPCIVOPZGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-17-8-9-19-20(25-17)5-3-6-21(19)30-14-12-29(13-15-30)11-10-18-4-2-7-22-24(18)32-16-23-26-27-28-31(22)23/h2-9H,10-16H2,1H3.
What are the key properties of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine?
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine has a molecular weight of 427.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-tetrazolo[5,1-c][1,4]benzoxazine is sourced from PubChem (CID 46900608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).