(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate

C17H16NO5P — CID 139216427

IUPAC(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
SMILESCCn1c(=O)c(-c2ccccc2)c(OP(=O)(O)O)c2ccccc21
InChIInChI=1S/C17H16NO5P/c1-2-18-14-11-7-6-10-13(14)16(23-24(20,21)22)15(17(18)19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyPCGFMJWVYNCRKY-UHFFFAOYSA-N
MW345.29 g/mol
LogP3.16
Rot. Bonds4

About (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate

(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate (PubChem CID 139216427) has the molecular formula C17H16NO5P and a molecular weight of 345.29 g/mol. Its IUPAC name is (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
PubChem CID139216427
Molecular FormulaC17H16NO5P
Molecular Weight345.29 g/mol
Exact Mass345.08
IUPAC Name(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate
SMILESCCn1c(=O)c(-c2ccccc2)c(OP(=O)(O)O)c2ccccc21
InChIInChI=1S/C17H16NO5P/c1-2-18-14-11-7-6-10-13(14)16(23-24(20,21)22)15(17(18)19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,20,21,22)
InChIKeyPCGFMJWVYNCRKY-UHFFFAOYSA-N
XLogP3.16
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
(3,5-dihydroxy-2,4,6-triphenylphenyl) dihydrogen phosphate
CID 10003019
(2,3-diphenylnaphthalen-1-yl) dihydrogen phosphate
CID 141077100
1-ethyl-4,7-dihydroxy-3-phenylquinolin-2-one
CID 54716845
(1-benzyl-2-oxo-3-phenylquinolin-4-yl)methyl diethyl phosphate
CID 102140439
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
1-ethyl-3-[(E)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 135679488
1-ethyl-3-[(Z)-hydrazinylidenemethyl]-4-hydroxyquinolin-2-one
CID 136671574
1-(9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336522
1-ethyl-7-(fluoromethyl)-3-methoxy-4-phenylquinolin-2-one
CID 142438232
1-benzyl-5-ethyltriazolo[4,5-c]quinolin-4-one
CID 132516535
5-ethylchromeno[3,2-c]quinoline-6,7-dione
CID 12511623

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate?
The IUPAC name of (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate (CID 139216427) is (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate.
What is the SMILES notation for (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate?
The canonical SMILES for (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate is CCn1c(=O)c(-c2ccccc2)c(OP(=O)(O)O)c2ccccc21.
What is the InChIKey of (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate?
The InChIKey is PCGFMJWVYNCRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO5P/c1-2-18-14-11-7-6-10-13(14)16(23-24(20,21)22)15(17(18)19)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H2,20,21,22).
What are the key properties of (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate?
(1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate has a molecular weight of 345.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-oxo-3-phenylquinolin-4-yl) dihydrogen phosphate is sourced from PubChem (CID 139216427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).