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

C25H26N4O3 — CID 140510757

IUPAC5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one
SMILESCc1ccc2c(N3CCN(CC(O)c4cccc5oc(=O)c(C)nc45)CC3)cccc2n1
InChIInChI=1S/C25H26N4O3/c1-16-9-10-18-20(26-16)6-4-7-21(18)29-13-11-28(12-14-29)15-22(30)19-5-3-8-23-24(19)27-17(2)25(31)32-23/h3-10,22,30H,11-15H2,1-2H3
InChIKeyGNJIIDDKFSAYHH-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.21
Rot. Bonds4

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

5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one (PubChem CID 140510757) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one
PubChem CID140510757
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one
SMILESCc1ccc2c(N3CCN(CC(O)c4cccc5oc(=O)c(C)nc45)CC3)cccc2n1
InChIInChI=1S/C25H26N4O3/c1-16-9-10-18-20(26-16)6-4-7-21(18)29-13-11-28(12-14-29)15-22(30)19-5-3-8-23-24(19)27-17(2)25(31)32-23/h3-10,22,30H,11-15H2,1-2H3
InChIKeyGNJIIDDKFSAYHH-UHFFFAOYSA-N
XLogP3.21
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

8-fluoro-6-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10320823
6-[1-hydroxy-3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4-methyl-3H-1,4-benzoxazin-2-one
CID 68942835
5-[4-[2-(3-iodophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 57444355
N-methyl-6-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 58064147
5-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylquinoline
CID 91453986
benzyl-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamic acid
CID 68868420
1-[4-(aminomethyl)phenyl]-3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]imidazolidin-2-one;dihydrochloride
CID 174516347
[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl] N-(2-methylpropyl)carbamate
CID 91385750
propan-2-yl N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]carbamate
CID 57478300
2,4-dimethyl-3-[3-[1-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propan-2-yl]phenyl]-2H-1,3-thiazole-5-carboxamide
CID 174516364
3-methoxy-1-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]pyridin-2-one;hydrochloride
CID 67098449
1-butan-2-yl-1-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]urea;dihydrochloride
CID 174502193

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one?
The IUPAC name of 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one (CID 140510757) is 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one.
What is the SMILES notation for 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one?
The canonical SMILES for 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one is Cc1ccc2c(N3CCN(CC(O)c4cccc5oc(=O)c(C)nc45)CC3)cccc2n1.
What is the InChIKey of 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one?
The InChIKey is GNJIIDDKFSAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16-9-10-18-20(26-16)6-4-7-21(18)29-13-11-28(12-14-29)15-22(30)19-5-3-8-23-24(19)27-17(2)25(31)32-23/h3-10,22,30H,11-15H2,1-2H3.
What are the key properties of 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one?
5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3-methyl-1,4-benzoxazin-2-one is sourced from PubChem (CID 140510757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).