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

C26H27N5O — CID 46900150

IUPAC6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1
InChIInChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3
InChIKeyLHWYHPOPXMPQGV-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.99
Rot. Bonds4

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

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 46900150) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID46900150
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1
InChIInChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3
InChIKeyLHWYHPOPXMPQGV-UHFFFAOYSA-N
XLogP3.99
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 46900150) is 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nccn4-5)CC3)cccc2n1.
What is the InChIKey of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is LHWYHPOPXMPQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-8-9-21-22(28-19)5-3-6-23(21)30-16-14-29(15-17-30)12-10-20-4-2-7-24-26(20)32-18-25-27-11-13-31(24)25/h2-9,11,13H,10,12,14-18H2,1H3.
What are the key properties of 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 425.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 46900150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).