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

C21H23NO4 — CID 139717468

IUPAC4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
SMILESCOc1c(OC(C)C)c(=O)n(C)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C21H23NO4/c1-14(2)26-20-19(24-4)17-11-10-16(12-18(17)22(3)21(20)23)25-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3
InChIKeyHXLQSHRJFZJTSH-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.91
Rot. Bonds6

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

4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one (PubChem CID 139717468) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
PubChem CID139717468
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
SMILESCOc1c(OC(C)C)c(=O)n(C)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C21H23NO4/c1-14(2)26-20-19(24-4)17-11-10-16(12-18(17)22(3)21(20)23)25-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3
InChIKeyHXLQSHRJFZJTSH-UHFFFAOYSA-N
XLogP3.91
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
7-hydroxy-1-methyl-4-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718369
4-methoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718194
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
1-hexyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139718437
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
4-hydroxy-1-methyl-3-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139716931

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The IUPAC name of 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one (CID 139717468) is 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one is COc1c(OC(C)C)c(=O)n(C)c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
The InChIKey is HXLQSHRJFZJTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(2)26-20-19(24-4)17-11-10-16(12-18(17)22(3)21(20)23)25-13-15-8-6-5-7-9-15/h5-12,14H,13H2,1-4H3.
What are the key properties of 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one?
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 139717468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).