ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one

C20H21NO3 — CID 142244182

IUPACethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
SMILESCC.O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C18H15NO3.C2H6/c20-17-9-7-14-13(16-11-22-16)6-8-15(18(14)19-17)21-10-12-4-2-1-3-5-12;1-2/h1-9,16H,10-11H2,(H,19,20);1-2H3
InChIKeyYECRXZCZTRYNJG-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.20
Rot. Bonds4

About ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one

ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one (PubChem CID 142244182) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
PubChem CID142244182
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one
SMILESCC.O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1
InChIInChI=1S/C18H15NO3.C2H6/c20-17-9-7-14-13(16-11-22-16)6-8-15(18(14)19-17)21-10-12-4-2-1-3-5-12;1-2/h1-9,16H,10-11H2,(H,19,20);1-2H3
InChIKeyYECRXZCZTRYNJG-UHFFFAOYSA-N
XLogP4.20
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
4-[2-(benzylamino)ethyl]phenol;5-[(1R)-2-[benzyl-[2-(4-hydroxyphenyl)ethyl]amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;methane;5-[(2R)-oxiran-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 160627971
5-(2-bromoethenyl)-8-phenylmethoxy-1H-quinolin-2-one
CID 150761308
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
5-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(1R)-2-bromo-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;5-[(1R)-2-bromo-1-propan-2-yloxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 159089444
5-[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one;oxalic acid
CID 175345091
(E)-but-2-enedioic acid;5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175736036
5-[(1R)-1-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 91493260
(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)-[(2R)-2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]-methylideneazanium
CID 70998527
(Z)-but-2-enedioic acid;bis(5-[(1R)-2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one);methane
CID 161032025
2-(2-chloro-4-phenylmethoxyphenyl)oxirane
CID 146020828

Frequently Asked Questions

What is the IUPAC name of ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one?
The IUPAC name of ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one (CID 142244182) is ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one.
What is the SMILES notation for ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one?
The canonical SMILES for ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one is CC.O=c1ccc2c(C3CO3)ccc(OCc3ccccc3)c2[nH]1.
What is the InChIKey of ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one?
The InChIKey is YECRXZCZTRYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3.C2H6/c20-17-9-7-14-13(16-11-22-16)6-8-15(18(14)19-17)21-10-12-4-2-1-3-5-12;1-2/h1-9,16H,10-11H2,(H,19,20);1-2H3.
What are the key properties of ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one?
ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one has a molecular weight of 323.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(oxiran-2-yl)-8-phenylmethoxy-1H-quinolin-2-one is sourced from PubChem (CID 142244182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).