6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

C15H20N2O3 — CID 82063465

IUPAC6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(O)cc2N(CCN2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11-15(19)17(9-8-16-6-2-3-7-16)13-10-12(18)4-5-14(13)20-11/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyQLCVQOLRMOXGNJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.60
Rot. Bonds3

About 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 82063465) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID82063465
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(O)cc2N(CCN2CCCC2)C1=O
InChIInChI=1S/C15H20N2O3/c1-11-15(19)17(9-8-16-6-2-3-7-16)13-10-12(18)4-5-14(13)20-11/h4-5,10-11,18H,2-3,6-9H2,1H3
InChIKeyQLCVQOLRMOXGNJ-UHFFFAOYSA-N
XLogP1.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-6-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063447
6-hydroxy-2-methyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one
CID 82063456
6-amino-2-ethyl-4-(2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82019372
4-[2-(azepan-1-yl)-2-oxoethyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23410599
4-heptyl-7-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063646
6-hydroxy-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82063421
7-hydroxy-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 82063603
N-(2-cyanoethyl)-2-(6-hydroxy-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 82063468
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 18131937
3-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 4083989
6-chloro-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 3044533
5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
CID 82345993

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 82063465) is 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is CC1Oc2ccc(O)cc2N(CCN2CCCC2)C1=O.
What is the InChIKey of 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is QLCVQOLRMOXGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-15(19)17(9-8-16-6-2-3-7-16)13-10-12(18)4-5-14(13)20-11/h4-5,10-11,18H,2-3,6-9H2,1H3.
What are the key properties of 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one?
6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 276.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82063465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).