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

C28H31N5O — CID 46900453

IUPAC1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1
InChIInChI=1S/C28H31N5O/c1-19-10-11-23-24(29-19)7-5-8-25(23)32-16-14-31(15-17-32)13-12-22-6-4-9-26-28(22)34-18-27-30-20(2)21(3)33(26)27/h4-11H,12-18H2,1-3H3
InChIKeyVGJMSZYBBPAAOF-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.60
Rot. Bonds4

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

1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 46900453) has the molecular formula C28H31N5O and a molecular weight of 453.59 g/mol. Its IUPAC name is 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID46900453
Molecular FormulaC28H31N5O
Molecular Weight453.59 g/mol
Exact Mass453.25
IUPAC Name1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1
InChIInChI=1S/C28H31N5O/c1-19-10-11-23-24(29-19)7-5-8-25(23)32-16-14-31(15-17-32)13-12-22-6-4-9-26-28(22)34-18-27-30-20(2)21(3)33(26)27/h4-11H,12-18H2,1-3H3
InChIKeyVGJMSZYBBPAAOF-UHFFFAOYSA-N
XLogP4.60
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-588045
CID 11655728
N-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 11712756
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-morpholin-4-ylmethanone
CID 11720815
azetidin-1-yl-[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]methanone
CID 46899638
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-pyrrolidin-1-ylmethanone
CID 46899639
[6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl]-piperidin-1-ylmethanone
CID 46899640
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150
2-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900451
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,5-d][1,4]oxazine
CID 46900457
1-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 46900459
3-methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-triazolo[5,1-c][1,4]benzoxazine
CID 46900606

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 46900453) is 1,2-dimethyl-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 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is Cc1ccc2c(N3CCN(CCc4cccc5c4OCc4nc(C)c(C)n4-5)CC3)cccc2n1.
What is the InChIKey of 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is VGJMSZYBBPAAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O/c1-19-10-11-23-24(29-19)7-5-8-25(23)32-16-14-31(15-17-32)13-12-22-6-4-9-26-28(22)34-18-27-30-20(2)21(3)33(26)27/h4-11H,12-18H2,1-3H3.
What are the key properties of 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 453.59 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 46900453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).