(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate

C19H17NO5 — CID 139716952

IUPAC(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
SMILESCOc1c(OC(C)=O)c(=O)[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H17NO5/c1-12(21)25-18-17(23-2)15-9-8-14(10-16(15)20-19(18)22)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyDFLBJEVRMRANSF-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.04
Rot. Bonds5

About (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate

(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate (PubChem CID 139716952) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate.

Molecular Properties

Compound Name(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
PubChem CID139716952
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
SMILESCOc1c(OC(C)=O)c(=O)[nH]c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C19H17NO5/c1-12(21)25-18-17(23-2)15-9-8-14(10-16(15)20-19(18)22)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyDFLBJEVRMRANSF-UHFFFAOYSA-N
XLogP3.04
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
CID 139717954
(7-hydroxy-4-methoxy-2-oxo-1H-quinolin-3-yl) acetate
CID 139718225
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
CID 19873071
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxy-4-phenylmethoxy-1H-quinolin-2-one
CID 139717739
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-phenylmethoxy-3-propan-2-yloxy-1H-quinolin-2-one
CID 139717823
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate?
The IUPAC name of (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate (CID 139716952) is (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate.
What is the SMILES notation for (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate?
The canonical SMILES for (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate is COc1c(OC(C)=O)c(=O)[nH]c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate?
The InChIKey is DFLBJEVRMRANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-12(21)25-18-17(23-2)15-9-8-14(10-16(15)20-19(18)22)24-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate?
(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate has a molecular weight of 339.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate is sourced from PubChem (CID 139716952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).