4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one

C26H30N4O2 — CID 44592294

IUPAC4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1
InChIInChI=1S/C26H30N4O2/c1-18-10-11-21-22(27-18)7-5-8-23(21)30-15-14-29(19(2)16-30)13-12-20-6-4-9-24-26(20)32-17-25(31)28(24)3/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1
InChIKeyWNZKLSJSPOZSAM-LJQANCHMSA-N
MW430.55 g/mol
LogP3.65
Rot. Bonds4

About 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one

4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one (PubChem CID 44592294) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
PubChem CID44592294
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
SMILESCc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1
InChIInChI=1S/C26H30N4O2/c1-18-10-11-21-22(27-18)7-5-8-23(21)30-15-14-29(19(2)16-30)13-12-20-6-4-9-24-26(20)32-17-25(31)28(24)3/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1
InChIKeyWNZKLSJSPOZSAM-LJQANCHMSA-N
XLogP3.65
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one (CID 44592294) is 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one is Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)[C@H](C)C3)cccc2n1.
What is the InChIKey of 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one?
The InChIKey is WNZKLSJSPOZSAM-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-10-11-21-22(27-18)7-5-8-23(21)30-15-14-29(19(2)16-30)13-12-20-6-4-9-24-26(20)32-17-25(31)28(24)3/h4-11,19H,12-17H2,1-3H3/t19-/m1/s1.
What are the key properties of 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one?
4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one has a molecular weight of 430.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-[(2R)-2-methyl-4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 44592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).