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

C27H29N5O — CID 46900451

IUPAC2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2
InChIInChI=1S/C27H29N5O/c1-19-9-10-22-23(28-19)6-4-7-24(22)31-15-13-30(14-16-31)12-11-21-5-3-8-25-27(21)33-18-26-29-20(2)17-32(25)26/h3-10,17H,11-16,18H2,1-2H3
InChIKeyHEHHNIMMUJHLIO-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.29
Rot. Bonds4

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

2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 46900451) has the molecular formula C27H29N5O and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID46900451
Molecular FormulaC27H29N5O
Molecular Weight439.56 g/mol
Exact Mass439.24
IUPAC Name2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2
InChIInChI=1S/C27H29N5O/c1-19-9-10-22-23(28-19)6-4-7-24(22)31-15-13-30(14-16-31)12-11-21-5-3-8-25-27(21)33-18-26-29-20(2)17-32(25)26/h3-10,17H,11-16,18H2,1-2H3
InChIKeyHEHHNIMMUJHLIO-UHFFFAOYSA-N
XLogP4.29
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 46900451) is 2-methyl-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 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is Cc1cn2c(n1)COc1c(CCN3CCN(c4cccc5nc(C)ccc45)CC3)cccc1-2.
What is the InChIKey of 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is HEHHNIMMUJHLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O/c1-19-9-10-22-23(28-19)6-4-7-24(22)31-15-13-30(14-16-31)12-11-21-5-3-8-25-27(21)33-18-26-29-20(2)17-32(25)26/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 439.56 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 46900451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).