3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one

C16H13NO4 — CID 139717983

IUPAC3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(OCc3ccccc3)ccc2c(O)c1O
InChIInChI=1S/C16H13NO4/c18-14-12-7-6-11(8-13(12)17-16(20)15(14)19)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,18,20)
InChIKeyNPVFXSIRVVFHFE-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.52
Rot. Bonds3

About 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one

3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one (PubChem CID 139717983) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
PubChem CID139717983
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(OCc3ccccc3)ccc2c(O)c1O
InChIInChI=1S/C16H13NO4/c18-14-12-7-6-11(8-13(12)17-16(20)15(14)19)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,18,20)
InChIKeyNPVFXSIRVVFHFE-UHFFFAOYSA-N
XLogP2.52
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
CID 139717954
3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 54708548
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one
CID 162368286
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-phenylmethoxy-3-propan-2-yloxy-1H-quinolin-2-one
CID 139717823
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
2-methylsulfonyl-7-phenylmethoxy-9H-carbazole;triethyl phosphite
CID 70036637

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one (CID 139717983) is 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one is O=c1[nH]c2cc(OCc3ccccc3)ccc2c(O)c1O.
What is the InChIKey of 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is NPVFXSIRVVFHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-14-12-7-6-11(8-13(12)17-16(20)15(14)19)21-9-10-4-2-1-3-5-10/h1-8,19H,9H2,(H2,17,18,20).
What are the key properties of 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one?
3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 283.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 139717983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).