7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one

C20H21NO4 — CID 139718369

IUPAC7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
SMILESCC(C)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C20H21NO4/c1-13(2)25-19-18(24-12-14-7-5-4-6-8-14)16-10-9-15(22)11-17(16)21(3)20(19)23/h4-11,13,22H,12H2,1-3H3
InChIKeyYMNAKAXPYMFHIS-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.61
Rot. Bonds5

About 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one

7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one (PubChem CID 139718369) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
PubChem CID139718369
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
SMILESCC(C)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C20H21NO4/c1-13(2)25-19-18(24-12-14-7-5-4-6-8-14)16-10-9-15(22)11-17(16)21(3)20(19)23/h4-11,13,22H,12H2,1-3H3
InChIKeyYMNAKAXPYMFHIS-UHFFFAOYSA-N
XLogP3.61
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-hydroxy-1-methyl-2-oxo-4-phenylmethoxyquinolin-3-yl) acetate
CID 139717866
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
1-butyl-7-hydroxy-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717687
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
4-hexoxy-7-hydroxy-3-phenylmethoxy-1-propan-2-ylquinolin-2-one
CID 139717520
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
2,6-difluoro-3,4-bis(phenylmethoxy)-5-propan-2-yloxybenzoic acid
CID 166479784

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one (CID 139718369) is 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one is CC(C)Oc1c(OCc2ccccc2)c2ccc(O)cc2n(C)c1=O.
What is the InChIKey of 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The InChIKey is YMNAKAXPYMFHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)25-19-18(24-12-14-7-5-4-6-8-14)16-10-9-15(22)11-17(16)21(3)20(19)23/h4-11,13,22H,12H2,1-3H3.
What are the key properties of 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 139718369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).