3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one

C20H21NO4 — CID 139717954

IUPAC3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
SMILESCOc1c(OCc2ccccc2)c2ccc(OC(C)C)cc2[nH]c1=O
InChIInChI=1S/C20H21NO4/c1-13(2)25-15-9-10-16-17(11-15)21-20(22)19(23-3)18(16)24-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyWIXRVNSWKRVPDO-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.90
Rot. Bonds6

About 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one

3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one (PubChem CID 139717954) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
PubChem CID139717954
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
SMILESCOc1c(OCc2ccccc2)c2ccc(OC(C)C)cc2[nH]c1=O
InChIInChI=1S/C20H21NO4/c1-13(2)25-15-9-10-16-17(11-15)21-20(22)19(23-3)18(16)24-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22)
InChIKeyWIXRVNSWKRVPDO-UHFFFAOYSA-N
XLogP3.90
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one with MolForge

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Related Compounds

(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-phenylmethoxy-3-propan-2-yloxy-1H-quinolin-2-one
CID 139717823
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-phenylmethoxy-1H-quinolin-2-one
CID 139717739
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-propan-2-yloxy-1H-quinolin-2-one
CID 139717017
3-methoxy-5H-phenanthridin-6-one
CID 12706603
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
4-hydroxy-3,7-dimethoxy-1H-quinolin-2-one
CID 139718554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one?
The IUPAC name of 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one (CID 139717954) is 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one.
What is the SMILES notation for 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one?
The canonical SMILES for 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one is COc1c(OCc2ccccc2)c2ccc(OC(C)C)cc2[nH]c1=O.
What is the InChIKey of 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one?
The InChIKey is WIXRVNSWKRVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(2)25-15-9-10-16-17(11-15)21-20(22)19(23-3)18(16)24-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,21,22).
What are the key properties of 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one?
3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one is sourced from PubChem (CID 139717954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).